SCHEMBL4526945

SCHEMBL4526945

Nc1nccc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.57
HSP90AA1 P07900 2/20 0.56
AURKA O14965 1/20 0.56
PRKACA P17612 1/20 0.56
ADORA2A P29274 1/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 1/20 0.56
CLK1 P49759 1/20 0.54
PIK3CA P42336 4/20 0.53
PIK3CB P42338 4/20 0.53
PIK3CG P48736 4/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CDC7 O00311 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HSP90AB1 P08238 1/20 0.50
PTK2 Q05397 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL31396412 0.83 POLB (0.56) ROCK1MAPTLMNAPIK3CAPIK3CB
SCHEMBL24175057 0.83 POLB (0.56) ROCK1MAPTLMNAPIK3CAPIK3CB
SCHEMBL4706796 0.81 PLK1 (0.61) ROCK1HSP90AA1AURKAPRKACAADORA2A
SCHEMBL2369694 0.80 PIK3CA (0.57) MAPTLMNAPIK3CAPIK3CBPIK3CG
SCHEMBL27491688 0.77 ASIC3 (0.56) ROCK1MAPTLMNAPIK3CAPIK3CB
SCHEMBL21164006 0.76 HSP90AA1 (0.70) ROCK1HSP90AA1AURKAPRKACAADORA2A
SCHEMBL27609846 0.76 ALDH1A1 (0.58) ROCK1MAPTLMNAMEN1KMT2A
SCHEMBL21373454 0.76 PIK3CA (0.60) MAPTLMNAPIK3CAPIK3CBPIK3CG
SCHEMBL20265102 0.76 CLK1 (0.60) ROCK1PRKACAMAPTCLK1PIK3CA
SCHEMBL18495641 0.76 CLK1 (0.60) ROCK1MAPTCLK1PIK3CAPIK3CB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019134082-A1 NOVEL PYRIMIDINE DERIVATIVES AS MTH1 INHIBITORS WUXI ADVANT BIOTECHNOLOGY CO., LTD. (CN) 2019-07-11 WO claimed
US-12208098-B2 4-carbonylamino-4-phenylpyrimidine compound or pharmaceutically acceptable salt thereof GACHON UNIVERSITY OF INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2025-01-28 US disclosed
US-20220000868-A1 NOVEL 4-CARBONYLAMINO-4-PHENYLPYRIMIDINE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF GACHON UNIVERSITY OF INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-01-06 US disclosed
US-20220000868-A1 NOVEL 4-CARBONYLAMINO-4-PHENYLPYRIMIDINE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF GACHON UNIVERSITY OF INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-01-06 US disclosed
WO-2020111283-A1 NOVEL 4-CARBONYLAMINO-4-PHENYLPYRIMIDINE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF (의료)길의료재단 2020-06-04 WO disclosed
WO-2019134082-A1 NOVEL PYRIMIDINE DERIVATIVES AS MTH1 INHIBITORS WUXI ADVANT BIOTECHNOLOGY CO., LTD. (CN) 2019-07-11 WO disclosed
CN-104447706-A 4-phenyl-2-aminopyrimidine compound, as well as preparation method and applications thereof UNIV SHANDONG 2015-03-25 CN disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20080176866-A1 3-(5-Bromo-2-{4-[5-bromo-4-((1R,2R)-2-hydroxy-1-methyl propylamino)-pyrimidin-2-ylamino]phenylamino}pyrimidin-4-ylamino)butan-2-ol; cell cycle and tyrosine kinase receptor inhibitor; antiproliferative, anticarcinogenic agent BAYER SCHERING PHARMA AG (DE) 2008-07-24 US disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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 (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-20220000868-A1 NOVEL 4-CARBONYLAMINO-4-PHENYLPYRIMIDINE COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF SLC5A1, DPP4, SLC10A1 ROCK1 3393/4885HSP90AA1 2571/4885AURKA 4491/4885
US-12208098-B2 4-carbonylamino-4-phenylpyrimidine compound or pharmaceutically acceptable salt thereof SLC5A1, SLC10A1, DPP4 ROCK1 3568/4885HSP90AA1 2661/4885AURKA 4378/4885
US-20080176866-A1 3-(5-Bromo-2-{4-[5-bromo-4-((1R,2R)-2-hydroxy-1-methyl propylamino)-pyrimidin-2-ylamino]phenylamino}pyrimidin-4-ylamino)butan-2-ol; cell cycle and tyrosine kinase receptor inhibitor; antiproliferative, anticarcinogenic agent CDK2, MKI67, ERBB2 ROCK1 2718/4885HSP90AA1 1462/4885AURKA 1541/4885
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA ROCK1 1/4885HSP90AA1 1087/4885AURKA 286/4885

“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.