SCHEMBL15815784

SCHEMBL15815784

O=CNc1cnn(-c2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MTOR P42345 1/20 0.40
RPTOR Q8N122 1/20 0.40
MLST8 Q9BVC4 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GRM4 Q14833 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA2 P17301 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
POLB P06746 1/20 0.35
NOTUM Q6P988 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL22594371 0.83 HPGDS (0.49) NAMPTMTORALDH1A1NPC1RAB9A
SCHEMBL23507791 0.78 KDM1A (0.44) NAMPTKDM1AMAOAMAOBMTOR
SCHEMBL15813925 0.78 NAMPT (0.43) NAMPTKDM1AMAOAMAOBMTOR
SCHEMBL21067338 0.75 NAMPT (0.52) NAMPTKDM1AMAOAMAOBALDH1A1
SCHEMBL1990298 0.75 MTOR (0.52) MTORRPTORMLST8ALDH1A1GRM4
SCHEMBL20729411 0.74 KCNH3 (0.41) NAMPTKDM1AMAOAMAOBALDH1A1
SCHEMBL29664287 0.74 DRD2 (0.46) NAMPTKDM1AMAOAMAOBALDH1A1
SCHEMBL90440 0.70 ALDH1A1 (0.56) ALDH1A1NPC1RAB9A
SCHEMBL24409334 0.69 ALDH1A1 (0.53) MTORRPTORMLST8ALDH1A1NPC1
SCHEMBL27330093 0.69 KMT2A (0.45) ALDH1A1POLBNOTUMMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10342781-B2 Diazole amides CHEMOCENTRYX, INC. (US) 2019-07-09 US disclosed
US-10342781-B2 Diazole amides CHEMOCENTRYX, INC. (US) 2019-07-09 US disclosed
US-20180071257-A1 DIAZOLE AMIDES CHEMOCENTRYX, INC. 2018-03-15 US disclosed
US-20180071257-A1 DIAZOLE AMIDES CHEMOCENTRYX, INC. 2018-03-15 US disclosed
US-9750722-B2 Diazole amides CHEMOCENTRYX, INC. (US) 2017-09-05 US disclosed
US-9750722-B2 Diazole amides CHEMOCENTRYX, INC. (US) 2017-09-05 US disclosed
US-20160193185-A1 DIAZOLE AMIDES CHEMOCENTRYX, INC. 2016-07-07 US disclosed
US-20160193185-A1 DIAZOLE AMIDES CHEMOCENTRYX, INC. 2016-07-07 US disclosed
EP-2935227-A2 DIAZOLE AMIDES ChemoCentryx, Inc. (US) 2015-10-28 EP disclosed
US-9169248-B2 Diazole amides CHEMOCENTRYX, INC. (US) 2015-10-27 US disclosed
US-9169248-B2 Diazole amides CHEMOCENTRYX, INC. (US) 2015-10-27 US disclosed
US-20140179733-A1 DIAZOLE AMIDES CHEMOCENTRYX, INC. (US) 2014-06-26 US disclosed
US-20140179733-A1 DIAZOLE AMIDES CHEMOCENTRYX, INC. (US) 2014-06-26 US disclosed
WO-2014100735-A2 DIAZOLE AMIDES CHEMOCENTRYX, INC. (US) 2014-06-26 WO disclosed
WO-2014100735-A2 DIAZOLE AMIDES CHEMOCENTRYX, INC. (US) 2014-06-26 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-20180071257-A1 DIAZOLE AMIDES CCR1, CCRL2, CCR4 NAMPT 1818/4885KDM1A 2395/4885MAOA 4784/4885
US-10342781-B2 Diazole amides CCR1, CCRL2, CCR4 NAMPT 1818/4885KDM1A 2395/4885MAOA 4784/4885
US-20140179733-A1 DIAZOLE AMIDES CCR1, CCRL2, CCR4 NAMPT 1818/4885KDM1A 2395/4885MAOA 4784/4885
US-20160193185-A1 DIAZOLE AMIDES CCR1, CCRL2, CCR4 NAMPT 1818/4885KDM1A 2395/4885MAOA 4784/4885

“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.