SCHEMBL4165752

SCHEMBL4165752

CCCc1nc(N(C)c2ccccc2)n2ncc(I)c2n1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.32
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4171837 0.86 HDAC1 (0.36) CRHR1HDAC1HDAC6
SCHEMBL4168717 0.81 CRHR1 (0.46) CRHR1HDAC1HDAC6L3MBTL1
SCHEMBL4167948 0.81 RAB9A (0.39) CRHR1
SCHEMBL4166669 0.77 ALDH1A1 (0.34)
SCHEMBL4171833 0.77 CRHR1 (0.32) CRHR1
SCHEMBL6686806 0.77 PDE4A (0.35) CRHR1
SCHEMBL4164259 0.77 CRHR1 (0.33) CRHR1
SCHEMBL4168938 0.77 TP53 (0.40) CRHR1
SCHEMBL4158630 0.77 TSHR (0.31) L3MBTL1
SCHEMBL4166724 0.75 EGFR (0.38) L3MBTL1

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 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 1700/4885HDAC1 2047/4885HDAC6 875/4885
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 107/4885HDAC1 1833/4885HDAC6 1028/4885

“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.