SCHEMBL4180510

SCHEMBL4180510

Cc1nc(N(C)c2ccccc2)n2ncc(Cc3ccccc3)c2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.46
CRHR1 P34998 1/20 0.44
EGFR P00533 2/20 0.40
PDGFRB P09619 2/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40
ENPP1 P22413 1/20 0.35

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
SCHEMBL6833888 0.86 CRHR1 (0.45) KDRCRHR1EGFRPDGFRBALDH1A1
SCHEMBL4168717 0.80 CRHR1 (0.46) KDRCRHR1EGFRPDGFRBALDH1A1
SCHEMBL6689493 0.80 CRHR1 (0.44) KDRCRHR1ALDH1A1RAB9ANPC1
SCHEMBL4175777 0.79 RAB9A (0.50) CRHR1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4173893 0.77 CRHR1 (0.44) CRHR1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4170000 0.76 CRHR1 (0.43) CRHR1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6691180 0.75 CRHR1 (0.43) CRHR1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4173865 0.74 KDM4E (0.55) ALDH1A1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL4178920 0.74 CRHR1 (0.40) CRHR1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL4158630 0.74 TSHR (0.31) CYP1A2CYP3A4CYP2C9TSHRMAPK1

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 KDR 3712/4885CRHR1 1700/4885EGFR 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 KDR 109/4885CRHR1 107/4885EGFR 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.