SCHEMBL4177657

SCHEMBL4177657

Cc1nc(=O)n2ncc(C(=O)c3ccccc3)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.44
▸ HPGD P15428 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ PTGS2 P35354 1/20 0.39
▸ FGFR1 P11362 2/20 0.38
▸ FGFR2 P21802 2/20 0.38
▸ FGFR3 P22607 2/20 0.38
▸ HTT P42858 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4166688 0.75 HSD17B10 (0.40) HSD17B10
SCHEMBL4180454 0.67 HTR2C (0.56) MAPK14HPGDALDH1A1RAB9ASMN1; SMN2
SCHEMBL7362761 0.67 MAPT (0.61) HPGDALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL7824007 0.67 PARP1 (0.57) HPGDALDH1A1RAB9APOLBSMN1; SMN2
SCHEMBL10751885 0.65 MAPK14 (0.50) MAPK14HPGDALDH1A1RAB9APOLB
SCHEMBL10378560 0.63 MAPT (0.47) HPGDALDH1A1KDM4EHTTAKR1C3
SCHEMBL8190034 0.63 MAPK14 (0.48) MAPK14HPGDALDH1A1RAB9APOLB
SCHEMBL14076466 0.62 AKR1C3 (0.48) MAPK14ALDH1A1RAB9APOLBKDM4E
SCHEMBL10758396 0.62 MAPK14 (0.50) MAPK14HPGDALDH1A1RAB9APTGS2
SCHEMBL10007412 0.62 ALDH1A1 (0.59) HPGDALDH1A1POLBSMN1; SMN2KDM4E

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 6 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
EP-1525205-A2 NOVEL SUBSTITUTED PYRAZOLO( 1,5-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) 2005-04-27 — — EP disclosed
WO-2004011464-A2 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) 2004-02-05 — — 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-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 MAPK14 1915/4885HPGD 891/4885ALDH1A1 312/4885
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 MAPK14 2220/4885HPGD 618/4885ALDH1A1 424/4885

“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.

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