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SCHEMBL10459366

SCHEMBL10459366

OCCNc1ccc(C(F)(F)F)c(-c2n[nH]c3ncccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.40
▸ PRKCQ Q04759 1/20 0.40
▸ CDK2 P24941 6/20 0.39
▸ PIM1 P11309 5/20 0.39
▸ GSK3B P49841 5/20 0.39
▸ MAP4K4 O95819 4/20 0.39
▸ CDC7 O00311 4/20 0.39
▸ PRKACA P17612 4/20 0.39
▸ HIPK2 Q9H2X6 4/20 0.39
▸ IRAK4 Q9NWZ3 4/20 0.39
▸ ROCK2 O75116 4/20 0.39
▸ MKNK2 Q9HBH9 2/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ IDH2 P48735 1/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.33
▸ CDK1 P06493 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ PRKD3 O94806 1/20 0.33

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 0.86 CDK2 (0.34) PRKCAPRKCQCDK2PIM1GSK3B
SCHEMBL10459320 0.85 ALDH1A1 (0.37) PRKCAPRKCQCDK2PIM1GSK3B
SCHEMBL10459336 0.83 CDK2 (0.35) PRKCQCDK2PIM1GSK3BMAP4K4
SCHEMBL10459324 0.83 CYP1A2 (0.42) CLK2DYRK1AALDH1A1CYP1A2CYP3A4
SCHEMBL10458869 0.83 MAPK14 (0.36) PRKCAPRKCQCDK2PIM1GSK3B
SCHEMBL10458864 0.82 PRKCQ (0.42) PRKCAPRKCQCDK2PIM1GSK3B
SCHEMBL10458773 0.81 CYP2D6 (0.46) GSK3BCDK9DYRK1ACCNT1
SCHEMBL10459265 0.81 CDK2 (0.46) PRKCAPRKCQCDK2PIM1GSK3B
SCHEMBL10458862 0.81 CCNT1 (0.39) CDK2PIM1GSK3BMAP4K4CDC7
SCHEMBL10459433 0.81 PRKCQ (0.33) PRKCQCDK2PIM1GSK3BMAP4K4

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 PRKCA 29/4885PRKCQ 41/4885CDK2 77/4885
US-20120184524-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 PRKCA 29/4885PRKCQ 41/4885CDK2 77/4885

“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.