SCHEMBL583731

SCHEMBL583731

[c]1ccn(Cc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.48
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TBXAS1 P24557 1/20 0.40
QPCT Q16769 1/20 0.40
CYP4Z1 Q86W10 1/20 0.40
QPCTL Q9NXS2 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 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
SCHEMBL958636 0.84 CYP2A6 (0.43) CYP19A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL16348018 0.84 CYP11B1 (0.50) MAPTCYP11B1CYP11B2SIGMAR1LMNA
SCHEMBL958957 0.81 RAB9A (0.45) CYP19A1L3MBTL1POLBMAPTCYP11B1
SCHEMBL11031678 0.80 CYP11B1 (0.50) L3MBTL1CYP1A2CYP2D6CYP11B1LMNA
SCHEMBL16347306 0.79 CYP11B1 (0.49) CYP11B1CYP11B2SMN1; SMN2MEN1ALDH1A1
SCHEMBL6813771 0.79 ENPP2 (0.42) CYP1A2CYP3A4MAPTLMNAKDM4E
SCHEMBL957615 0.77 KMT2A (0.49) L3MBTL1POLBMAPTSIGMAR1LMNA
SCHEMBL959163 0.77 KDM4E (0.50) CYP19A1L3MBTL1MAPTSIGMAR1LMNA
SCHEMBL958758 0.77 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2HDAC8HDAC6
SCHEMBL2699902 0.76 CYP19A1 (0.52) CYP19A1L3MBTL1CYP11B1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617680-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2020-04-14 US claimed
EP-3612522-A1 THERAPEUTIC COMPOUNDS Celgene Quanticel Research, Inc. (US) 2020-02-26 EP claimed
US-10144746-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-04 US claimed
WO-2018195155-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-10-25 WO claimed
US-20180296543-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. 2018-10-18 US claimed
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-07-12 US claimed
US-9815853-B2 Bridged bicyclic kallikrein inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-11-14 US claimed
CN-104755478-B Serine/threonine kinase inhibitor 霍夫曼-拉罗奇有限公司 2017-10-10 CN claimed
WO-2017034377-A1 PYRIDOPYRIMIDINONE COMPOUNDS FOR MODULATING THE CATALYTIC ACTIVITY OF HISTONE LYSINE DEMETHYLASES (KDMS) DONG-A ST CO., LTD. (KR) 2017-03-02 WO claimed
US-20170057955-A1 Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) DONG-A ST CO., LTD. (KR) 2017-03-02 US claimed
WO-2006069097-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2006-06-29 WO claimed
US-20060122234-A1 Substituted thienyl-hydroxamic acids as histone deacetylase inhibitors ARGENTA DISCOVERY LIMITED 2006-06-08 US claimed
CN-1684957-A Substituted thienyl-hydroxamic acids as histone deacetylase inhibitors ARGENTA DISCOVERY LTD (GB) 2005-10-19 CN claimed
EP-1525199-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS Argenta Discovery Limited (GB) 2005-04-27 EP claimed
EP-1131331-B1 13-MEMBERED AZALIDES AND THEIR USE AS ANTIBIOTIC AGENTS PFIZER PROD INC (US) 2004-03-03 EP claimed
WO-2004013130-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS AS HISTONE DEACETYLASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2004-02-12 WO claimed
CN-1326460-A Trideca-tertiary azalides and their use as antibiotics PFIZER PROD INC (US) 2001-12-12 CN claimed
US-6329345-B1 13-membered azalides and their use as antibiotic agents PFIZER INC 2001-12-11 US claimed
EP-1131331-A1 13-MEMBERED AZALIDES AND THEIR USE AS ANTIBIOTIC AGENTS Pfizer Products Inc. (US) 2001-09-12 EP claimed
WO-2000031097-A1 13-MEMBERED AZALIDES AND THEIR USE AS ANTIBIOTIC AGENTS PFIZER PRODUCTS INC. (US) 2000-06-02 WO claimed

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-10144746-B2 Bridged bicyclic kallikrein inhibitors KLKB1, KLK1, KLK2 CYP19A1 937/4885L3MBTL1 4262/4885CYP1A2 3589/4885
US-20180194780-A1 BRIDGED BICYCLIC KALLIKREIN INHIBITORS KLKB1, KLK1, KLK2 CYP19A1 937/4885L3MBTL1 4262/4885CYP1A2 3589/4885
US-20180296543-A1 THERAPEUTIC COMPOUNDS EP300, BRD4, BRD3 CYP19A1 4420/4885L3MBTL1 868/4885CYP1A2 4769/4885
US-20060122234-A1 Substituted thienyl-hydroxamic acids as histone deacetylase inhibitors HDAC1, HDAC11, HDAC2 CYP19A1 1066/4885L3MBTL1 1353/4885CYP1A2 1750/4885
US-20170057955-A1 Pyridopyrimidinone Compounds for Modulating the Catalytic Activity of Histone Lysine Demethylases (KDMs) KDM1B, KDM1A, KDM3B CYP19A1 1087/4885L3MBTL1 1804/4885CYP1A2 1523/4885
US-10617680-B2 Therapeutic compounds EP300, BRD4, BRD3 CYP19A1 4420/4885L3MBTL1 868/4885CYP1A2 4769/4885

“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.