SCHEMBL10458773

SCHEMBL10458773

O[C@H](CNc1ccc(C(F)(F)F)c(-c2n[nH]c3ncccc23)n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
FAAH O00519 16/20 0.44
DYRK1A Q13627 3/20 0.38
CCNT1 O60563 1/20 0.38
GSK3B P49841 1/20 0.38
CDK9 P50750 1/20 0.38

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
SCHEMBL10459278 0.88 BCDIN3D (0.35) CYP2D6FAAHCCNT1GSK3BCDK9
SCHEMBL10459320 0.88 ALDH1A1 (0.37) CCNT1GSK3BCDK9
SCHEMBL10458869 0.86 MAPK14 (0.36) CCNT1GSK3BCDK9
SCHEMBL10459433 0.83 PRKCQ (0.33) FAAHCCNT1GSK3BCDK9
SCHEMBL10458868 0.82 CCNT1 (0.37) DYRK1ACCNT1GSK3BCDK9
SCHEMBL10459366 0.81 PRKCA (0.40) DYRK1ACCNT1GSK3BCDK9
SCHEMBL10457547 0.81 CYP2D6 (0.53) CYP2D6FAAHDYRK1ACCNT1GSK3B
SCHEMBL10459336 0.79 CDK2 (0.35) CYP2D6DYRK1ACCNT1GSK3BCDK9
SCHEMBL10457572 0.77 KDM4E (0.42) CYP2D6DYRK1ACCNT1CDK9
SCHEMBL10459466 0.77 CDK2 (0.34) CYP2D6CCNT1GSK3BCDK9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9137973-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-22 US disclosed
US-9137973-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-09-22 US disclosed
US-9029546-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-12 US disclosed
US-9029546-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-12 US disclosed
US-20140148434-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-29 US disclosed
US-20140148434-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-29 US disclosed
US-20120184524-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-07-19 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-20140148434-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 CYP2D6 1589/4885FAAH 3324/4885DYRK1A 510/4885
US-20120184524-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 CYP2D6 1589/4885FAAH 3324/4885DYRK1A 510/4885

“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.