SCHEMBL4816252

SCHEMBL4816252

Cc1cc(C)nc(Nc2ccc(N)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.57
MAPT P10636 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MAPK1 P28482 2/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
NR4A1 P22736 1/20 0.56
HPGD P15428 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
GFER P55789 1/20 0.55
CYP3A4 P08684 1/20 0.53
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.51
DOT1L Q8TEK3 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
SCHEMBL23780651 0.85 TAAR1 (0.72) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL22628619 0.83 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL7512302 0.83 RAD52 (0.56) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL14972695 0.82 SYK (0.51) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL23999931 0.82 RAD52 (0.52) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL21004551 0.81 NFKB1 (0.66) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL14946746 0.79 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL19575358 0.79 AURKA (0.57) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL11198492 0.79 SYK (0.49) RAB9ANPC1SMN1; SMN2MAPTMEN1
Pyrimethanil SCHEMBL20817 0.79 SMN1; SMN2 (0.71) RAB9ANPC1SMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329288-B2 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2008-02-12 US claimed
US-20060005323-A1 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2006-01-12 US claimed
EP-1568694-A1 N-heteroaryl-para-phenylene diamines for colouring hair L'OREAL (FR) 2005-08-31 EP claimed
CN-112646758-B Acinetobacter calcoaceticus and application thereof 哈尔滨师范大学 2022-09-23 CN disclosed
CN-112646758-A Acinetobacter calcoaceticus and application thereof 哈尔滨师范大学 2021-04-13 CN disclosed
US-10301203-B2 Chloroperoxidase-catalyzed degradation of pharmaceutical pollutants in wastewater THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2019-05-28 US disclosed
US-9938176-B1 Chloroperoxidase-catalyzed degradation of pharmaceutical pollutants in wastewater THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2018-04-10 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
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-1939185-A1 New types of hetaryl-phenylendiamin-pyrimidines as protein kinase inhibitors for the treatment of cancer Bayer Schering Pharma Aktiengesellschaft (DE) 2008-07-02 EP disclosed
WO-2008074515-A1 NOVEL HETARYL-PHENYLENE-DIAMINE PYRIMIDINE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-26 WO disclosed
US-7329288-B2 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2008-02-12 US disclosed
US-7067549-B2 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2006-06-27 US disclosed
US-20060005323-A1 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2006-01-12 US disclosed
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US disclosed
EP-1568694-A1 N-heteroaryl-para-phenylene diamines for colouring hair L'OREAL (FR) 2005-08-31 EP disclosed
EP-1568694-A1 N-heteroaryl-para-phenylene diamines for colouring hair L'OREAL (FR) 2005-08-31 EP disclosed
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 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 (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-20050192292-A1 Pyrrolidone carboxamides NPY1R, NPY5R, NPY2R RAB9A 3133/4885NPC1 4071/4885SMN1; SMN2 3678/4885
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 RAB9A 4091/4885NPC1 3626/4885SMN1; SMN2 4421/4885

“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.