Sugi Predict

Sugi Predict / Compounds / SCHEMBL10459336

SCHEMBL10459336

SCHEMBL10459336

N#CCNc1ccc(C(F)(F)F)c(-c2n[nH]c3ncccc23)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.35
▸ CDC7 O00311 3/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ PRKACA P17612 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ HIPK2 Q9H2X6 2/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ CDK9 P50750 2/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ RET P07949 1/20 0.32
▸ CCNB1 P14635 1/20 0.32

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
SCHEMBL10459466 0.89 CDK2 (0.34) CDK2CDC7MAP4K4PIM1PRKACA
SCHEMBL10459265 0.84 CDK2 (0.46) CDK2CDC7MAP4K4PIM1PRKACA
SCHEMBL10459320 0.84 ALDH1A1 (0.37) CDK2CDC7MAP4K4PIM1PRKACA
SCHEMBL10459366 0.83 PRKCA (0.40) CDK2CDC7MAP4K4PIM1PRKACA
SCHEMBL10458869 0.82 MAPK14 (0.36) CDK2CDC7MAP4K4PIM1PRKACA
SCHEMBL10458862 0.80 CCNT1 (0.39) CDK2CDC7MAP4K4PIM1PRKACA
SCHEMBL10457553 0.80 CDK2 (0.32) CDK2CDC7MAP4K4PIM1PRKACA
SCHEMBL10459433 0.80 PRKCQ (0.33) CDK2CDC7MAP4K4PIM1PRKACA
SCHEMBL17525833 0.79 CDK2 (0.37) CDK2CDC7MAP4K4PIM1PRKACA
SCHEMBL10457569 0.79 CDK2 (0.33) CDK2CDC7MAP4K4PIM1PRKACA

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 77/4885CDC7 421/4885MAP4K4 22/4885
US-20120184524-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 CDK2 77/4885CDC7 421/4885MAP4K4 22/4885

“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.