SCHEMBL9882209

SCHEMBL9882209

OCC1CCCN(c2ccc(C(F)(F)F)c(-c3n[nH]c4ncccc34)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 2/20 0.44
▸ PRKCD Q05655 1/20 0.44
▸ MAP4K4 O95819 2/20 0.41
▸ ITGB2 P05107 1/20 0.40
▸ ICAM1 P05362 1/20 0.40
▸ ITGAL P20701 1/20 0.40
▸ KHK P50053 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ PIM1 P11309 4/20 0.39
▸ MAPT P10636 1/20 0.38
▸ ATR Q13535 1/20 0.37
▸ ATRIP Q8WXE1 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ FPR1 P21462 1/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ PTGER4 P35408 2/20 0.36

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
SCHEMBL15275454 1.00 PRKCQ (0.44) PRKCQPRKCDMAP4K4ITGB2ICAM1
SCHEMBL9882075 0.91 PTPN11 (0.46) PRKCQPRKCDMAP4K4PRKCAFLT3
SCHEMBL9882263 0.89 MAPT (0.47) PRKCQPRKCDITGB2ICAM1ITGAL
SCHEMBL9882272 0.89 PRKCQ (0.46) PRKCQPRKCDPRKCAFLT3GSK3B
SCHEMBL9882030 0.89 PRKCQ (0.46) PRKCQPRKCDPRKCAFLT3GSK3B
SCHEMBL9882352 0.88 PIM1 (0.47) PRKCQPRKCDPRKCAFLT3GSK3B
SCHEMBL9882310 0.87 PRKCQ (0.41) PRKCQPRKCDPRKCAFLT3GSK3B
SCHEMBL9882069 0.86 PIM1 (0.51) PRKCQPRKCDPRKCAFLT3GSK3B
SCHEMBL9882292 0.85 PIM1 (0.47) PRKCQPRKCDPRKCAFLT3GSK3B
SCHEMBL9882297 0.85 PIM1 (0.47) PRKCQPRKCDPRKCAFLT3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318408-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2016-02-17 — — EP disclosed
US-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 — — US disclosed
US-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 — — US disclosed
US-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-26 — — US disclosed
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-05-31 — — US disclosed
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-05-31 — — 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-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PRKCQ 51/4885PRKCD 144/4885MAP4K4 25/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PRKCQ 51/4885PRKCD 144/4885MAP4K4 25/4885

“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.

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