SCHEMBL9882216

SCHEMBL9882216

Fc1ccc(N2CCCCC2)nc1-c1n[nH]c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 11/20 0.54
▸ PRKCD Q05655 7/20 0.54
▸ PIM1 P11309 3/20 0.42
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ CDC42BPB Q9Y5S2 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ CCNT1 O60563 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ CNR2 P34972 3/20 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
SCHEMBL9882034 0.89 PRKCQ (0.67) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL1836378 0.88 PRKCQ (0.52) PRKCQPRKCDPRKCACCNT1CCNA2
SCHEMBL9882217 0.88 PRKCQ (0.52) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9882306 0.86 PRKCQ (0.50) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9882240 0.85 PIM1 (0.49) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9882218 0.85 PRKCQ (0.48) PRKCQPRKCDPIM1ROCK2PRKCA
SCHEMBL9882307 0.85 PRKCQ (0.48) PRKCQPRKCDROCK2ROCK1CDC42BPB
SCHEMBL9882223 0.84 PRKCQ (0.48) PRKCQPRKCDPIM1PRKCAMAPT
SCHEMBL9882256 0.83 PIM1 (0.50) PRKCQPRKCDPIM1ROCK2ROCK1
SCHEMBL9882269 0.83 PIM1 (0.46) PRKCQPRKCDPIM1ROCK2ROCK1

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
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-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 144/4885PIM1 305/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PRKCQ 51/4885PRKCD 144/4885PIM1 305/4885

“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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