SCHEMBL9882283

SCHEMBL9882283

NC1(C2CCCN(c3ccc(F)c(-c4n[nH]c5ncccc45)n3)C2)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 10/20 0.41
▸ PRKCD Q05655 7/20 0.41
▸ PRKCA P17252 1/20 0.40
▸ PIM1 P11309 9/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CDC42BPB Q9Y5S2 1/20 0.35

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
SCHEMBL9882265 0.98 PRKCQ (0.41) PRKCQPRKCDPRKCAPIM1PIM3
SCHEMBL9882240 0.85 PIM1 (0.49) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9883376 0.83 PIM1 (0.46) PRKCQPRKCDPRKCAPIM1ROCK2
SCHEMBL9882269 0.83 PIM1 (0.46) PRKCQPRKCDPRKCAPIM1ROCK2
SCHEMBL9882260 0.82 PRKCQ (0.46) PRKCQPRKCDPRKCAPIM1PIM3
SCHEMBL9882249 0.82 PIM1 (0.53) PRKCQPRKCDPRKCAPIM1
SCHEMBL9882213 0.81 PRKCQ (0.46) PRKCQPRKCDPRKCAPIM1PIM3
SCHEMBL9882247 0.81 PBK (0.46) PRKCQPRKCDPRKCAPIM1
SCHEMBL9882216 0.80 PRKCQ (0.54) PRKCQPRKCDPRKCAPIM1PIM3
SCHEMBL9882256 0.80 PIM1 (0.50) PRKCQPRKCDPRKCAPIM1PIM2

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 144/4885PRKCA 34/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PRKCQ 51/4885PRKCD 144/4885PRKCA 34/4885

“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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