SCHEMBL4168717

SCHEMBL4168717

Cc1nc(N(C)c2ccccc2)n2ncc(I)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.46
KDR P35968 3/20 0.32
EGFR P00533 2/20 0.32
PDGFRB P09619 2/20 0.32
TSHR P16473 3/20 0.31
CDK2 P24941 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MAPT P10636 3/20 0.31
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
MAPK1 P28482 2/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 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
SCHEMBL4175777 0.82 RAB9A (0.50) CRHR1TSHRMAPTRAB9ANPC1
SCHEMBL4171833 0.82 CRHR1 (0.32) CRHR1
SCHEMBL4171837 0.82 HDAC1 (0.36) CRHR1HDAC1HDAC6
SCHEMBL6686806 0.82 PDE4A (0.35) CRHR1MAPTHSD17B10
SCHEMBL6833888 0.81 CRHR1 (0.45) CRHR1KDREGFRPDGFRBTSHR
SCHEMBL4165752 0.81 CRHR1 (0.32) CRHR1HDAC1HDAC6L3MBTL1
SCHEMBL4180510 0.80 KDR (0.46) CRHR1KDREGFRPDGFRBTSHR
SCHEMBL6689493 0.80 CRHR1 (0.44) CRHR1KDRTSHRRAB9ANPC1
SCHEMBL4163962 0.79 CSF1R (0.38) CRHR1EGFRPDGFRBTSHRCDK2
SCHEMBL6691180 0.78 CRHR1 (0.43) CRHR1HDAC6RAB9ANPC1SMN1; SMN2

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 5 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
WO-2004072078-A1 PYRAZOLOTRIAZINE DERIVATIVES, METHODS FOR PRODUCTION AND USES THEREOF UNIVERSITE LOUIS PASTEUR (FR) 2004-08-26 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 (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 1700/4885KDR 3712/4885EGFR 3894/4885
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 107/4885KDR 109/4885EGFR 453/4885

“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.