SCHEMBL737910

SCHEMBL737910

C[C@H]1CC[C@@H](N2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2C19 P33261 2/20 0.43
ALOX15 P16050 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.42
L3MBTL3 Q96JM7 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MBTD1 Q05BQ5 3/20 0.38
OPRL1 P41146 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL736102 1.00 KDM4E (0.44) KDM4EALDH1A1CYP2C19ALOX15CYP3A4
SCHEMBL14175057 1.00 KDM4E (0.44) KDM4EALDH1A1CYP2C19ALOX15CYP3A4
SCHEMBL3688411 1.00 KDM4E (0.44) KDM4EALDH1A1CYP2C19ALOX15CYP3A4
SCHEMBL9557835 0.97 KDM4E (0.46) KDM4EALDH1A1CYP2C19ALOX15CYP3A4
SCHEMBL736959 0.97 KDM4E (0.46) KDM4EALDH1A1CYP2C19ALOX15CYP3A4
SCHEMBL736459 0.97 KDM4E (0.46) KDM4EALDH1A1CYP2C19ALOX15CYP3A4
SCHEMBL14313611 0.92 KDM4E (0.46) KDM4EALDH1A1CYP2C19ALOX15CYP3A4
SCHEMBL13342157 0.92 KDM4E (0.46) KDM4EALDH1A1CYP2C19ALOX15CYP3A4
SCHEMBL20245295 0.92 KDM4E (0.46) KDM4EALDH1A1CYP2C19ALOX15CYP3A4
SCHEMBL22447170 0.90 ALDH1A1 (0.46) KDM4EALDH1A1CYP2C19ALOX15CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2022-05-24 US disclosed
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE (HK) LIMITED (HK) 2021-05-27 US disclosed
US-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof ACCRO BIOSCIENCE INC. (KY) 2020-10-27 US disclosed
EP-3059238-B1 FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2020-05-27 EP disclosed
EP-1778240-B1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES ONCOHEROES BIOSCIENCES INC (US) 2020-03-25 EP disclosed
US-20190284180-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF ACCRO BIOSCIENCE (HK) LIMITED (HK) 2019-09-19 US disclosed
US-20130245013-A1 STORAGE STABLE PERFUSION SOLUTION FOR DIHYDROPTERIDINONES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-8445675-B2 Storage stable perfusion solution for dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-21 US disclosed
US-8445675-B2 Storage stable perfusion solution for dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-21 US disclosed
US-20120107312-A1 Combinations for the Treatment of Diseases involving Cell Proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20100249458-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-20100249412-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-30 US disclosed
US-7759485-B2 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 US disclosed
US-7750152-B2 Intermediate compounds for making dihydropteridinones useful as pharmaceutical compositions and processes of making the same BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-07-06 US disclosed
US-20090238828-A1 Combinations for the Treatment of Diseases involving Cell Proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-24 US disclosed
US-20090143379-A1 Storage stable perfusion solution for dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-20080293944-A1 Piperazinyl Compounds ONCOHEROES BIOSCIENCES INC. 2008-11-27 US disclosed
US-20080221099-A1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES ONCOHEROES BIOSCIENCES INC. 2008-09-11 US disclosed
US-20080177066-A1 Process for the manufacture of dihydropteridinones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 US disclosed
US-20080171747-A1 Intermediate Compounds for making Dihydropteridinones Useful as Pharmaceutical Compositions ONCOHEROES BIOSCIENCES INC. 2008-07-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080221099-A1 DIHYDROPTERIDINONES FOR THE TREATMENT OF CANCER DISEASES PLK4, TK1, POLK KDM4E 4546/4885ALDH1A1 3183/4885CYP2C19 2078/4885
US-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same BAX, LITAF, PNLIP KDM4E 4574/4885ALDH1A1 3080/4885CYP2C19 526/4885
US-20120107312-A1 Combinations for the Treatment of Diseases involving Cell Proliferation CCNA1, MKI67, CCNA2 KDM4E 4564/4885ALDH1A1 1053/4885CYP2C19 3291/4885
US-20090238828-A1 Combinations for the Treatment of Diseases involving Cell Proliferation CCNA1, MKI67, CCNA2 KDM4E 4564/4885ALDH1A1 1053/4885CYP2C19 3291/4885
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME BAX, LITAF, PNLIP KDM4E 4574/4885ALDH1A1 3080/4885CYP2C19 526/4885
US-20100249458-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH KDM4E 3687/4885ALDH1A1 731/4885CYP2C19 274/4885
US-20090143379-A1 Storage stable perfusion solution for dihydropteridinones QDPR, F5, F12 KDM4E 4832/4885ALDH1A1 1200/4885CYP2C19 301/4885
US-20080171747-A1 Intermediate Compounds for making Dihydropteridinones Useful as Pharmaceutical Compositions QDPR, DHPS, DHODH KDM4E 4469/4885ALDH1A1 759/4885CYP2C19 73/4885
US-10815226-B2 Heteroaryl compounds as inhibitors of necrosis, composition and application thereof LITAF, BAX, TNF KDM4E 4809/4885ALDH1A1 2504/4885CYP2C19 1225/4885
US-20080177066-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH KDM4E 3687/4885ALDH1A1 731/4885CYP2C19 274/4885
US-20130245013-A1 STORAGE STABLE PERFUSION SOLUTION FOR DIHYDROPTERIDINONES QDPR, F5, F12 KDM4E 4832/4885ALDH1A1 1200/4885CYP2C19 301/4885
US-20080293944-A1 Piperazinyl Compounds QDPR, DHPS, DPYD KDM4E 4088/4885ALDH1A1 709/4885CYP2C19 75/4885
US-20190284180-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND APPLICATION THEREOF LITAF, BAX, TNF KDM4E 4809/4885ALDH1A1 2504/4885CYP2C19 1225/4885
US-20100249412-A1 Process for the manufacture of dihydropteridinones QDPR, DHPS, DHODH KDM4E 3687/4885ALDH1A1 731/4885CYP2C19 274/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.