SCHEMBL1052785

SCHEMBL1052785

O=c1ccc2ccccc2n1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ BRD4 O60885 1/20 0.53
▸ BRPF1 P55201 1/20 0.53
▸ KAT2B Q92831 1/20 0.53
▸ BRD9 Q9H8M2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC6 Q9UBN7 3/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ CDK4 P11802 4/20 0.38
▸ CCND1 P24385 4/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ PRKD3 O94806 1/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ PRKACG P22612 1/20 0.35

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
SCHEMBL29941678 1.00 CA12 (0.53) CA12CA9BRD4BRPF1KAT2B
SCHEMBL847600 0.82 CA12 (0.57) CA12CA9BRD4BRPF1KAT2B
SCHEMBL1054493 0.74 CA12 (0.57) CA12CA9BRD4BRPF1KAT2B
SCHEMBL9372428 0.73 CA12 (0.47) CA12CA9BRD4BRPF1KAT2B
SCHEMBL16896766 0.73 CA12 (0.47) CA12CA9BRD4BRPF1KAT2B
SCHEMBL9096468 0.72 CA12 (0.46) CA12CA9BRD4BRPF1KAT2B
SCHEMBL7209185 0.71 NR3C1 (0.44) CA12CA9
SCHEMBL1052080 0.71 CA12 (0.59) CA12CA9BRD4BRPF1KAT2B
SCHEMBL23272041 0.71 HSD17B10 (0.33) CA12CA9BRD4BRPF1KAT2B
SCHEMBL29947955 0.71 HSD17B10 (0.33) CA12CA9BRD4BRPF1KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US claimed
EP-1133474-A4 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL MYERS SQUIBB CO (US) 2005-02-16 — — EP claimed
EP-1478645-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS Amgen Inc. (US) 2004-11-24 — — EP claimed
EP-1181341-B1 LUMINESCENT 4-TRIFLUOROMETHYL-2-QUINOLONES WITH LONG-WAVE UV-ABSORPTION AND THE USE THEREOF URAY GEORG (AT) 2004-10-27 — — EP claimed
US-6635759-B2 Used as luminescent marker for peptides, proteins, RNA and DNA, as complexing agent Uray, Georg (AT) 2003-10-21 — — US claimed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 — — WO claimed
US-20020058793-A1 Luminescent 4-trifluoromethy1-2-quinolones with long wave UV absorption and their use AGILENT TECHNOLOGIES, INC. 2002-05-16 — — US claimed
EP-1181341-A2 LUMINESCENT 4-TRIFLUOROMETHYL-2-QUINOLONES WITH LONG-WAVE UV-ABSORPTION AND THE USE THEREOF Uray, Georg (AT) 2002-02-27 — — EP claimed
EP-1133474-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-09-19 — — EP claimed
WO-2000066680-A2 LUMINESCENT 4-TRIFLUOROMETHYL-2-QUINOLONES WITH LONG-WAVE UV-ABSORPTION AND THE USE THEREOF URAY GEORG (AT) 2000-11-09 — — WO claimed
WO-2000034244-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-15 — — WO claimed
EP-4313308-A1 TEAD INHIBITORS AND USES THEREOF Cedilla Therapeutics, Inc. (US) 2024-02-07 — — EP disclosed
WO-2022204452-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2022-09-29 — — WO disclosed
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2018-11-29 — — US disclosed
WO-2000034244-A1 3-SUBSTITUTED-4-ARYLQUINOLIN-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-15 — — WO disclosed
US-5972961-A ANTIISCHEMIC AGENTS; ANTICONVULSANTS; HEADACHES; SEXUAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-10-26 — — US disclosed
WO-1999009983-A1 4-ARYL-3-AMINOQUINOLINE-2-ONE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 — — WO disclosed
EP-0707569-A1 4-AMINO-2-QUINOLINONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1996-04-24 — — EP disclosed
WO-1995000488-A1 4-AMINO-2-QUINOLINONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-01-05 — — WO 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 CA12 3122/4885CA9 3988/4885BRD4 4/4885
US-20180339982-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 CA12 3122/4885CA9 3988/4885BRD4 4/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 CA12 3122/4885CA9 3988/4885BRD4 4/4885
US-20020058793-A1 Luminescent 4-trifluoromethy1-2-quinolones with long wave UV absorption and their use CYP4F2, CYP4F12, CRY1 CA12 257/4885CA9 382/4885BRD4 2007/4885

“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.

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