SCHEMBL1749806

SCHEMBL1749806

CC(=O)Nc1ncc(Br)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
MAPK10 P53779 1/20 0.59
CCNE1 P24864 6/20 0.54
CDK2 P24941 6/20 0.54
CDK5 Q00535 1/20 0.54
LMNA P02545 2/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
FBP1 P09467 7/20 0.51
FFAR2 O15552 1/20 0.49
CDK1 P06493 2/20 0.48
CDK4 P11802 2/20 0.48
KDM4E B2RXH2 1/20 0.46
ABL1 P00519 1/20 0.46
POLB P06746 1/20 0.46
CCNE2 O96020 4/20 0.46
CCNB2 O95067 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46

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
Ammonia Solution, Strong SCHEMBL27883952 0.98 SMN1; SMN2 (0.58) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL6729 0.82 CCNE1 (0.59) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL4601358 0.82 SMN1; SMN2 (0.51) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL31247565 0.81 LMNA (0.44) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL4479801 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL14476229 0.81 SMN1; SMN2 (0.55) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL6278411 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL9974179 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL13390860 0.80 CCNE1 (0.66) SMN1; SMN2MAPK10CCNE1CDK2CDK5
SCHEMBL17353987 0.80 SMN1; SMN2 (0.72) SMN1; SMN2MAPK10CCNE1CDK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558492-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 Therapeutics, Inc. (US) 2025-05-28 EP disclosed
CN-119654315-A 3- (6-Pyridin-3-yl) -2- [4- (4-methyl-4H-1, 2, 4-triazol-3-yl) piperidin-1-yl ] benzonitrile derivatives and similar compounds as QPCTL and QPCT inhibitors for the treatment of cancer 858治疗公司 2025-03-18 CN disclosed
US-20240101544-A1 INHIBITORS OF QPCTL AND QPCT 858 THERAPEUTICS, INC. 2024-03-28 US disclosed
WO-2024020517-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
WO-2024020517-A1 3-(6-PYRIDIN-3-YL)-2-[4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDIN-1-YL]BENZONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS QPCTL AND QPCT INHIBITORS FOR THE TREATMENT OF CANCER 858 THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
EP-3828184-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR Medshine Discovery Inc. (CN) 2021-06-02 EP disclosed
WO-2020038394-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AND USE THEREOF AS PI3K INHIBITOR 南京明德新药研发有限公司 2020-02-27 WO disclosed
EP-2836487-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC (US) 2018-10-31 EP disclosed
US-20160207940-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2016-07-21 US disclosed
US-9255108-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-02-09 US disclosed
US-20020165259-A1 Carbon substituted aminothiazole inhibitors of cyclin dependent kinases RAWLINS DAVID B (US) 2002-11-07 US disclosed
EP-1087951-A4 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2002-08-14 EP disclosed
US-6407124-B1 ANTICARCINOGENIC, ANTIPROLIFERATIVE, ANTIINFLAMMATORY, AND ANTIARTHRITIC AGENTS; ALZHEIMER*S DISEASE AND CARDIOVASCULAR DISORDER TREATMENT BRISTOL-MYERS SQUIBB COMPANY 2002-06-18 US disclosed
EP-1087951-A1 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-04 EP disclosed
WO-1999065884-A1 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-23 WO disclosed
WO-1996030370-A2 THIAZOLE AND THIADIAZOLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS USEFUL IN THE TREATMENT OF THROMBOCYTOPENIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed
EP-0412404-B1 Thiazole derivatives, processes for production thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1996-01-31 EP disclosed
US-5369107-A Thiazole derivatives, processes for production thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-29 US disclosed
US-5256675-A Antirheumatic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
EP-0412404-A2 Thiazole derivatives, processes for production thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-13 EP 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 (3 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-20160207940-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SMN1; SMN2 1464/4885MAPK10 256/4885CCNE1 1333/4885
US-20240101544-A1 INHIBITORS OF QPCTL AND QPCT ACAT1, ACAT2, LCAT SMN1; SMN2 1008/4885MAPK10 1416/4885CCNE1 2029/4885
US-20020165259-A1 Carbon substituted aminothiazole inhibitors of cyclin dependent kinases CCNK, CDK2, CCNL2 SMN1; SMN2 4545/4885MAPK10 800/4885CCNE1 12/4885

“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.