SCHEMBL4158566

SCHEMBL4158566

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.42
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4170000 0.85 CRHR1 (0.43) CRHR1ALDH1A1SMN1; SMN2
SCHEMBL6833888 0.78 CRHR1 (0.45) CRHR1MEN1MAPTKMT2AALDH1A1
SCHEMBL4168717 0.77 CRHR1 (0.46) CRHR1MEN1MAPTCYP2C9KMT2A
SCHEMBL4175777 0.76 RAB9A (0.50) CRHR1MEN1MAPTKMT2AGAA
SCHEMBL6689493 0.74 CRHR1 (0.44) CRHR1ALDH1A1TSHRSMN1; SMN2
SCHEMBL4180510 0.74 KDR (0.46) CRHR1MEN1CYP2C9KMT2AALDH1A1
SCHEMBL4173893 0.74 CRHR1 (0.44) CRHR1MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL4160444 0.73
SCHEMBL6691180 0.72 CRHR1 (0.43) CRHR1MEN1CYP2C9KMT2AALDH1A1
SCHEMBL4178920 0.71 CRHR1 (0.40) CRHR1MAPTCYP2C9ALDH1A1TSHR

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 2 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

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 1700/4885MEN1 3393/4885MAPT 131/4885
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 107/4885MEN1 1687/4885MAPT 1185/4885

“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.