SCHEMBL295633

SCHEMBL295633

[c]1ccc(-c2ccccn2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.57
NPC1 O15118 6/20 0.57
RAB9A P51151 5/20 0.57
MAPT P10636 3/20 0.57
GLA P06280 1/20 0.57
LMNA P02545 4/20 0.50
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
ATM Q13315 1/20 0.44
TP53 P04637 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43

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
SCHEMBL3596326 0.77 CYP2A6 (0.35) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL3607890 0.74 HSP90AA1 (0.39) HSP90AA1
SCHEMBL6381694 0.74 HSP90AA1 (0.35) NPC1RAB9ACYP1A2ALDH1A1HTT
SCHEMBL3069800 0.73 KDM4E (1.00) KDM4ENPC1RAB9AMAPTGLA
Dipyridyl SCHEMBL16026552 0.72 KDM4E (0.93) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL28857293 0.72 KDM4E (0.95) KDM4ENPC1RAB9AMAPTGLA
Dipyridyl SCHEMBL29907716 0.69 KDM4E (1.00) KDM4ENPC1RAB9AMAPTGLA
Dipyridyl SCHEMBL29351528 0.69 KDM4E (1.00) KDM4ENPC1RAB9AMAPTGLA
Dipyridyl SCHEMBL3711450 0.69 KDM4E (1.00) KDM4ENPC1RAB9AMAPTGLA
Dipyridyl SCHEMBL5922 0.69 KDM4E (1.00) KDM4ENPC1RAB9AMAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2955173-B1 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-10-04 EP claimed
US-9603834-B2 1,2- bis-sulfonamide derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2017-03-28 US claimed
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS AXIKIN PHARMACEUTICALS, INC. 2017-03-23 US claimed
US-9540351-B2 Pharmaceutically acceptable salts of 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2017-01-10 US claimed
US-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. 2016-08-11 US claimed
EP-3046918-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS Axikin Pharmaceuticals, Inc. (US) 2016-07-27 EP claimed
US-9382237-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
US-9365556-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-06-14 US claimed
US-9346792-B2 3,5-diaminopyrazole kinase inhibitors AXIKIN PHARMACEUTICALS, INC. (US) 2016-05-24 US claimed
EP-2955173-A1 NOVEL 1,2-BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-12-16 EP claimed
EP-0973732-A2 ARYL- OR HETEROARYLSULFONAMIDE SUBSTITUTED HYDROXAMIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SMITHKLINE BEECHAM PLC (GB) 2000-01-26 EP claimed
EP-0938477-A4 BENZOTHIAZO AND RELATED HETEROCYCLIC GROUP-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON INC (US) 1999-12-29 EP claimed
US-5952328-A MAY BE USED TO ALLEVIATE, MEDIATE, REDUCE AND/OR PREVENT DISORDERS WHICH ARE ASSOCIATED WITH ABNORMAL AND/OR ABERRANT ACTIVITY OF CYSTEINE PROTEASES AND/OR SERINE PROTEASES CEPHALON, INC. (US) 1999-09-14 US claimed
WO-1999043285-A2 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1999-09-02 WO claimed
EP-0938477-A1 BENZOTHIAZO AND RELATED HETEROCYCLIC GROUP-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON, INC. (US) 1999-09-01 EP claimed
EP-0937708-A2 sulphonamide derivatives ELI LILLY AND COMPANY (US) 1999-08-25 EP claimed
WO-1999021871-A1 2-HALO-6-O-SUBSTITUTED KETOLIDE DERIVATIVES ABBOTT LABORATORIES (US) 1999-05-06 WO claimed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US claimed
WO-1998042659-A2 ARYL- OR HETEROARYLSULFONAMIDE SUBSTITUTED HYDROXAMIC ACID DERIVATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SMITHKLINE BEECHAM PLC (GB) 1998-10-01 WO claimed
WO-1998021186-A1 BENZOTHIAZO AND RELATED HETEROCYCLIC GROUP-CONTAINING CYSTEINE AND SERINE PROTEASE INHIBITORS CEPHALON, INC. (US) 1998-05-22 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 (2 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-20160228407-A1 NOVEL 1,2- BIS-SULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CXCR2, CCR2, CX3CR1 KDM4E 4794/4885NPC1 2440/4885RAB9A 1158/4885
US-20170079954-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF 3,5-DIAMINOPYRAZOLE KINASE INHIBITORS GRK3, DMPK, PRKAG3 KDM4E 2416/4885NPC1 1660/4885RAB9A 1604/4885

“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.