Sugi Predict

Sugi Predict / Compounds / SCHEMBL10457553

SCHEMBL10457553

SCHEMBL10457553

CN(CC#N)c1ccc(C(F)(F)F)c(-c2n[nH]c3ncccc23)n1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CCNK O75909 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ HIPK2 Q9H2X6 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CCNB2 O95067 1/20 0.31

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
SCHEMBL10458866 0.90 AR (0.33) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL10458859 0.84 POLB (0.34) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL10459336 0.80 CDK2 (0.35) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL10458867 0.78 CDK2 (0.33) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL17525833 0.77 CDK2 (0.37) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL10459317 0.76 CDK2 (0.32) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL10459466 0.76 CDK2 (0.34) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL10459475 0.74 SSTR4 (0.33) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL3235485 0.74 GRM4 (0.38) CDK2CCNT1CCNKCCNE1CDK9
SCHEMBL13535278 0.73 TRPV1 (0.39) CCNB2CDK1RETCCNB1CCNB3

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 8 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
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 CDK2 77/4885CCNT1 1647/4885CCNK 430/4885
US-20120184524-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 CDK2 77/4885CCNT1 1647/4885CCNK 430/4885

“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.