SCHEMBL2400142

SCHEMBL2400142

COc1ccc2sc(Br)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
DYRK1A Q13627 2/20 0.55
PPARA Q07869 4/20 0.50
ILK Q13418 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TP53 P04637 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
PDK1 Q15118 1/20 0.47
BACE1 P56817 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
NQO2 P16083 1/20 0.47

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
SCHEMBL299010 0.85 CYP1A2 (0.67) NPC1RAB9ASMN1; SMN2DYRK1ACYP1A2
SCHEMBL95067 0.81 NPC1 (0.55) NPC1RAB9ASMN1; SMN2DYRK1APPARA
SCHEMBL31276816 0.81 NPC1 (0.55) NPC1RAB9ASMN1; SMN2DYRK1APPARA
SCHEMBL29751964 0.80 CYP3A4 (0.75) NPC1RAB9ASMN1; SMN2DYRK1APPARA
SCHEMBL12318433 0.80 NPC1 (0.54) NPC1RAB9ASMN1; SMN2DYRK1APPARA
SCHEMBL30627231 0.80 NPC1 (0.54) NPC1RAB9ASMN1; SMN2DYRK1APPARA
SCHEMBL11459521 0.80 NPC1 (0.57) NPC1RAB9ASMN1; SMN2DYRK1APPARA
SCHEMBL779852 0.80 NPC1 (0.54) NPC1RAB9ASMN1; SMN2DYRK1APPARA
SCHEMBL778048 0.80 NPC1 (0.54) NPC1RAB9ASMN1; SMN2DYRK1APPARA
SCHEMBL2748547 0.80 NPC1 (0.54) NPC1RAB9ASMN1; SMN2DYRK1APPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118724835-A Inhibitor for inhibiting cell sugar transport channel and synthesis method 超弦波生命科学应用技术(上海)有限公司 2024-10-01 CN claimed
US-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME CHECKMATE THERAPEUTICS INC. (KR) 2026-01-22 US disclosed
CN-118724835-A Inhibitor for inhibiting cell sugar transport channel and synthesis method 超弦波生命科学应用技术(上海)有限公司 2024-10-01 CN disclosed
WO-2023229346-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME 주식회사 체크메이트테라퓨틱스 2023-11-30 WO disclosed
US-8614330-B2 Substituted benz-azoles and methods of their use as inhibitors of RAF kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-12-24 US disclosed
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
EP-2258365-B1 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2013-05-29 EP disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
WO-2006067311-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) SAS (FR) 2006-06-29 WO disclosed
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase CHIRON CORPORATION (US) 2005-09-01 US disclosed
WO-2005037273-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-28 WO disclosed
WO-2005032548-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-14 WO disclosed
EP-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 EP disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 WO disclosed
EP-0973775-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-26 EP disclosed
WO-1998043975-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-10-08 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 (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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF NPC1 4125/4885RAB9A 1662/4885SMN1; SMN2 4020/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF NPC1 4460/4885RAB9A 1810/4885SMN1; SMN2 4075/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF NPC1 4125/4885RAB9A 1662/4885SMN1; SMN2 4020/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF NPC1 4051/4885RAB9A 1454/4885SMN1; SMN2 3544/4885
US-20050192287-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF NPC1 4051/4885RAB9A 1454/4885SMN1; SMN2 3544/4885
US-20260022122-A1 NOVEL COMPOUND FOR INHIBITING NAMPT, AND COMPOSITION INCLUDING SAME NAMPT, NAPRT, NNT NPC1 57/4885RAB9A 1585/4885SMN1; SMN2 2571/4885

“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.