SCHEMBL4173893

SCHEMBL4173893

Cc1nc(N(C)c2ccccc2)n2ncc(C(=O)c3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.44
MAPK14 Q16539 6/20 0.39
LTC4S Q16873 1/20 0.38
KDM4E B2RXH2 6/20 0.37
HPGD P15428 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 3/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL4173865 0.83 KDM4E (0.55) KDM4EHPGDALDH1A1HSD17B10NPC1
SCHEMBL4178920 0.83 CRHR1 (0.40) CRHR1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL6833888 0.78 CRHR1 (0.45) CRHR1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL4168717 0.77 CRHR1 (0.46) CRHR1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL6689493 0.77 CRHR1 (0.44) CRHR1KDM4EALDH1A1HSD17B10NPC1
SCHEMBL4180510 0.77 KDR (0.46) CRHR1HPGDALDH1A1HSD17B10NPC1
SCHEMBL4175777 0.76 RAB9A (0.50) CRHR1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL17628594 0.73 SMN1; SMN2 (0.35) KDM4EHPGDALDH1A1HSD17B10NPC1
SCHEMBL6691180 0.72 CRHR1 (0.43) CRHR1KDM4EHPGDALDH1A1HSD17B10
SCHEMBL6808179 0.71 CRHR1 (0.36) CRHR1KDM4EHPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2009-04-23 US claimed
US-20060106019-A1 Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2006-05-18 US claimed
US-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2009-04-23 US disclosed
US-20060106019-A1 Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same GREENPHARMA (FR) 2006-05-18 US 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-20060106019-A1 Novel substituted pyrazolo[1,5 a]-1,3,5-triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same PMP22, BDNF, GRIK5 CRHR1 1700/4885MAPK14 1915/4885LTC4S 772/4885
US-20090105261-A1 Novel substituted pyrazolo[1,5<I>A</I>]-1,3,5-Triazine derivatives and their analogues, pharmaceutical compositions containing same, use thereof as medicine and methods for preparing same BDNF, NTRK2, NGF CRHR1 107/4885MAPK14 2220/4885LTC4S 617/4885

“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.