SCHEMBL10061306

SCHEMBL10061306

CCOc1ccc(CC)cc1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
TUBB1 Q9H4B7 1/20 0.43
TNKS2 Q9H2K2 1/20 0.42
FFAR1 O14842 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
CALM1 P0DP23 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39

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
SCHEMBL15384984 0.86 TNKS2 (0.41) KDM1AL3MBTL1TNKS2
SCHEMBL10976808 0.85 CYP17A1 (0.48) KDM1AL3MBTL1TUBB1FFAR1PPARD
SCHEMBL17254338 0.85 KDM1A (0.47) KDM1AL3MBTL1TUBB1FFAR1PPARG
SCHEMBL3126227 0.85 KDM1A (0.51) KDM1AL3MBTL1TUBB1FFAR1PPARG
SCHEMBL15803458 0.85 KDM1A (0.47) KDM1AL3MBTL1TUBB1CALM1
SCHEMBL14734486 0.85 KDM1A (0.47) KDM1AL3MBTL1TUBB1FFAR1PPARG
SCHEMBL19602416 0.85 CSNK2A1 (0.47) L3MBTL1TNKS2KDM4EALDH1A1HTT
SCHEMBL8377141 0.84 HTT (0.49) KDM1AL3MBTL1KDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL3113585 0.83 KDM1A (0.50) KDM1AL3MBTL1TUBB1FFAR1PPARG
SCHEMBL6468437 0.83 S1PR1 (0.49) L3MBTL1TNKS2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3311835-B1 ADMINISTRATION OF HYPOXIA ACTIVATED PRODRUGS AND ANTIANGIOGENIC AGENTS FOR THE TREATMENT OF CANCER THRESHOLD PHARMACEUTICALS INC (US) 2021-03-24 EP disclosed
EP-3311835-A1 ADMINISTRATION OF HYPOXIA ACTIVATED PRODRUGS AND ANTIANGIOGENIC AGENTS FOR THE TREATMENT OF CANCER Threshold Pharmaceuticals Inc. (US) 2018-04-25 EP disclosed
US-9527876-B2 Prodrugs of bicyclic substituted pyrimidine type PDE-5 inhibitors Xuanzhu Pharma Co., Ltd. (CN) 2016-12-27 US disclosed
US-9359371-B2 Bicyclic substituted pyrimidine compounds Xuanzhu Pharma Co., Ltd. (CN) 2016-06-07 US disclosed
US-20160046654-A1 Prodrugs Of Bicyclic Substituted Pyrimidine Type PDE-5 Inhibitors Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2016-02-18 US disclosed
WO-2015171647-A1 TREATMENT OF CANCER THRESHOLD PHARMACEUTICALS, INC. (US) 2015-11-12 WO disclosed
US-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2015-08-20 US disclosed
WO-2014154168-A1 BICYCLIC SUBSTITUTED PYRIMIDINE PDE-5 INHIBITOR PRODRUG 山东轩竹医药科技有限公司 (CN) 2014-10-02 WO disclosed
US-8664204-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. 2013-11-14 US disclosed
US-8507464-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
WO-2012142520-A2 UNIT DOSE FORM FOR ORAL ADMINISTRATION THRESHOLD PHARMACEUTICALS, INC. (US) 2012-10-18 WO disclosed
WO-2012135757-A2 METHODS FOR TREATING CANCER THRESHOLD PHARMACEUTICALS, INC. (US) 2012-10-04 WO disclosed
WO-2012009288-A2 ADMINISTRATION OF HYPOXIA ACTIVATED PRODRUGS AND ANTIANGIOGENIC AGENTS FOR THE TREATMENT OF CANCER THRESHOLD PHARMACEUTICALS, INC. (US) 2012-01-19 WO disclosed
WO-2012006032-A2 TREATMENT OF BLOOD CANCER THRESHOLD PHARMACEUTICALS, INC. (US) 2012-01-12 WO disclosed
EP-2019825-B9 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2011-01-26 EP disclosed
EP-2019825-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2010-09-01 EP disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
WO-2007131350-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-22 WO disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 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 (4 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-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 KDM1A 1205/4885L3MBTL1 4353/4885TUBB1 913/4885
US-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds DPYD, UMPS, TYMP KDM1A 4526/4885L3MBTL1 4350/4885TUBB1 3485/4885
US-20130303778-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP KDM1A 3384/4885L3MBTL1 745/4885TUBB1 3912/4885
US-20160046654-A1 Prodrugs Of Bicyclic Substituted Pyrimidine Type PDE-5 Inhibitors PDE5A, PDE3A, PDE7A KDM1A 2418/4885L3MBTL1 4480/4885TUBB1 3766/4885

“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.