SCHEMBL1013141

SCHEMBL1013141

CC(C)(C#N)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.55
TSHR P16473 5/20 0.52
LMNA P02545 2/20 0.52
ACHE P22303 1/20 0.49
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.44
HSP90AA1 P07900 1/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
CES2 O00748 1/20 0.42

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
SCHEMBL4617227 0.91 ALDH1A1 (0.57) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL245787 0.85 PTPRC (0.54) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL3579270 0.84 PTPRC (0.60) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL3580628 0.84 PTPRC (0.52) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL9734076 0.80 PTPRC (0.63) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL31496742 0.80 PTPRC (0.63) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL179286 0.80 PTPRC (0.63) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL10958370 0.80 PTPRC (0.49) PTPRCTSHRLMNAACHEALDH1A1
SCHEMBL2858498 0.80 MEN1 (0.67) LMNAALDH1A1TDP1KMT2ASMN1; SMN2
SCHEMBL6621479 0.80 PTPRC (0.48) PTPRCTSHRLMNAACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024258789-A1 MODULATORS OF CDK2 AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2024-12-19 WO disclosed
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS NEXYS THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
US-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer NEXYS THERAPEUTICS, INC. (US) 2024-10-01 US disclosed
EP-3902796-B1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS INC (US) 2024-02-07 EP disclosed
US-20220054465-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER NEXYS THERAPEUTICS, INC. (US) 2022-02-24 US disclosed
CN-108383836-B Heterocyclic compounds as MEK inhibitors 鲁宾有限公司 2021-11-12 CN disclosed
CN-113348167-A (pyridin-2-yl) amine derivatives as TGF-beta R1(ALK5) inhibitors for the treatment of cancer 奈可萨斯医药有限公司 2021-09-03 CN disclosed
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
EP-2834237-B1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LTD (IN) 2018-06-06 EP disclosed
US-9969731-B2 Heterocyclyl compounds as MEK inhibitors LUPIN LIMITED (IN) 2018-05-15 US disclosed
WO-2008016192-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 WO disclosed
US-7026357-B2 Diphenylurea compounds LES LABORATOIRES SERVIER (FR) 2006-04-11 US disclosed
CN-1241916-C Novel acardite compound, its preparation method and medicinal composition containing said compound SERVIER LAB (FR) 2006-02-15 CN disclosed
EP-1170288-B9 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists SERVIER LAB (FR) 2005-01-26 EP disclosed
US-20040224993-A1 Diphenylurea compounds LAVIELLE GILBERT (FR) 2004-11-11 US disclosed
US-6784183-B2 ANTISEROTONINE AGENTS LES LABORATOIRES SERVIER (FR) 2004-08-31 US disclosed
EP-1170288-B1 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists SERVIER LAB (FR) 2004-08-11 EP disclosed
US-20020025965-A1 Antiserotonine agents ADIR ET COMPAGNIE (FR) 2002-02-28 US disclosed
EP-1170288-A2 Diphenylureum derivatives and their use as alpha2/5-HT2c antagonists LES LABORATOIRES SERVIER (FR) 2002-01-09 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 (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-12102626-B2 (Pyridin-2-yl)amine derivatives as TGF-BETA R1 (ALK5) inhibitors for the treatment of cancer TGFBR1, TGFBR2, ACVR1 PTPRC 1732/4885TSHR 541/4885LMNA 1151/4885
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF PTPRC 491/4885TSHR 1876/4885LMNA 2716/4885
US-20020025965-A1 Antiserotonine agents HTR2C, HTR3C, HTR3A PTPRC 4196/4885TSHR 271/4885LMNA 445/4885
US-20240398776-A1 INHIBITORS OF TGF-BETA R1 (ALK5) USEFUL TO TREAT CELL PROLIFERATION DISORDERS ACVR1, TGFBR1, ACVRL1 PTPRC 1630/4885TSHR 581/4885LMNA 1501/4885
US-20220054465-A1 (PYRIDIN-2-YL)AMINE DERIVATIVES AS TGF-BETA R1 (ALK5) INHIBITORS FOR THE TREATMENT OF CANCER TGFBR1, TGFBR2, ACVR1 PTPRC 1732/4885TSHR 541/4885LMNA 1151/4885
US-20040224993-A1 Diphenylurea compounds HTR2C, HTR2A, HTR1A PTPRC 2430/4885TSHR 281/4885LMNA 4459/4885

“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.