Sugi Predict

Sugi Predict / Compounds / SCHEMBL10154835

SCHEMBL10154835

SCHEMBL10154835

COc1cc(N2CCNCC2)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 5/20 0.57
▸ HTR3E A5X5Y0 3/20 0.57
▸ HTR3B O95264 3/20 0.57
▸ HTR3A P46098 3/20 0.57
▸ HTR3D Q70Z44 3/20 0.57
▸ HTR3C Q8WXA8 3/20 0.57
▸ SIGMAR1 Q99720 2/20 0.57
▸ HTR1A P08908 2/20 0.56
▸ HTR7 P34969 2/20 0.56
▸ HTR1D P28221 1/20 0.55
▸ HTR1B P28222 1/20 0.55
▸ CHRNB2 P17787 2/20 0.54
▸ CHRNA4 P43681 2/20 0.54
▸ ACVR1 Q04771 4/20 0.51
▸ TGFBR1 P36897 3/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ DRD3 P35462 1/20 0.50

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
SCHEMBL12714792 0.94 CHRNB2 (0.58) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL15358736 0.90 ALDH1A1 (0.53) HTR1AHTR7CHRNB2CHRNA4MAPT
SCHEMBL15652365 0.89 ADRB1 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
Tert-Butyl Formate SCHEMBL27934064 0.87 HTR1A (0.45) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2974453 0.86 ALDH1A1 (0.59) MAPTRECQL
SCHEMBL361649 0.86 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL13981505 0.86 KHK (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL10128598 0.85 ALDH1A1 (0.59) MAPTRECQL
Hydrochloric Acid SCHEMBL7711565 0.85 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL30340649 0.85 ALDH1A1 (0.59) MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 — — WO disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders DANA-FARBER CANCER INSTITUTE, INC. 2019-02-07 — — US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
EP-3312180-A1 USE OF PTERIDINONE DERIVATIVE SERVING AS EGFR INHIBITOR East China University Of Science And Technology (CN) 2018-04-25 — — EP disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 — — US disclosed
EP-2379559-B1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INST INC (US) 2017-10-25 — — EP disclosed
CN-104703983-B The double diamine derivatives of (4 (base of piperazine 1) phenyl) pyrimidine 2,4 of N2, N4 or its pharmaceutically acceptable salt, and using it as active component for prevention or the composition for the treatment of cancer 韩国化学研究院 2017-09-05 — — CN disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
CN-101827848-A 2- [ (2- { phenylamino } -1H-pyrrolo [2,3-d ] pyrimidin-4-yl) amino ] benzamide derivatives as IGF-1R inhibitors for the treatment of cancer SMITHKLINE BEECHAM CORP 2010-09-08 — — CN disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 — — WO disclosed
EP-2172461-A1 DI(ARYLAMINO)ARYL COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 — — EP disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 — — US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 — — US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 — — US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 — — US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 — — US disclosed
CN-1241916-C Novel acardite compound, its preparation method and medicinal composition containing said compound SERVIER LAB (FR) 2006-02-15 — — CN 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 (6 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ADRB1 782/4885HTR3E 3619/4885HTR3B 3678/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ADRB1 1013/4885HTR3E 2533/4885HTR3B 2177/4885
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 ADRB1 3447/4885HTR3E 1322/4885HTR3B 1343/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP ADRB1 782/4885HTR3E 3619/4885HTR3B 3678/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ADRB1 984/4885HTR3E 2240/4885HTR3B 1898/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ADRB1 984/4885HTR3E 2240/4885HTR3B 1898/4885

“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.