SCHEMBL2677295

SCHEMBL2677295

C1=CN=CN(c2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
BPTF Q12830 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL5145920 0.73 PLD1 (0.40) HPGDRAB9ASMN1; SMN2CYP3A4KDM4E
SCHEMBL1038366 0.71 PRMT6 (0.50) CYP3A4MAPTKDM4E
SCHEMBL9550046 0.71 KDM4E (0.31) MAPTKDM4ELMNA
Hydrochloric Acid SCHEMBL18281396 0.69 KDM4E (0.34) KDM4E
SCHEMBL5668049 0.67 SIGMAR1 (0.41) CYP3A4MAPTSIGMAR1LMNAGAA
SCHEMBL6369470 0.67 HPGD (0.38) HPGDNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL663152 0.67 MAPT (0.35) HPGDNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL16972826 0.66 NOS3 (0.35)
SCHEMBL3694032 0.66
SCHEMBL2049800 0.65 MAPT (0.33) HPGDNPC1RAB9ASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0035474-B1 AMIDINES, PROCESS FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE CIBA-GEIGY AG (CH) 1985-06-05 EP claimed
CN-110452216-A Anti-fibrosis pyridinone INTERMUNE INC 2019-11-15 CN disclosed
CN-106459042-B Anti-fibrotic pyridinones 英特穆恩公司 2019-06-28 CN disclosed
US-9616064-B2 Rho kinase inhibitors and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-11 US disclosed
CN-106459042-A Anti-fibrotic pyridinones 英特穆恩公司 2017-02-22 CN disclosed
EP-2763984-A1 1-PYRAZOLYL-3- (4- ( (2 -ANILINOPYRIMIDIN- 4 - YL) OXY) NAPTHTHALEN- 1 - YL) UREAS AS P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2014-08-13 EP disclosed
US-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-06-26 US disclosed
WO-2013050757-A1 1-PYRAZOLYL-3- (4- ( (2 -ANILINOPYRIMIDIN- 4 - YL) OXY) NAPTHTHALEN- 1 - YL) UREAS AS P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2013-04-11 WO disclosed
WO-2012135697-A2 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE INC. (US) 2012-10-04 WO disclosed
US-8173665-B2 I-pheny 1-3,4-dihydropyrimidin-2(1H)-one derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-5723610-A Alcohol reactants for forming phenylpyrimidine derivatives and process for preparing said alcohols SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
US-5539115-A FERROELECTRIC CRYSTALS FOR OPTICAL APPARATUS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-07-23 US disclosed
EP-0035474-B1 AMIDINES, PROCESS FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE CIBA-GEIGY AG (CH) 1985-06-05 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 (1 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-20140179689-A1 NOVEL RHO KINASE INHIBITORS AND METHODS OF USE ROCK1, ROCK2, RHOA HPGD 1778/4885NPC1 2279/4885RAB9A 321/4885

“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.