SCHEMBL9881930

SCHEMBL9881930

Cc1ccc(N2CCNCC2)nc1-c1n[nH]c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 3/20 0.54
▸ PRKCD Q05655 2/20 0.54
▸ PRKCA P17252 1/20 0.48
▸ PIM1 P11309 12/20 0.45
▸ ADRB1 P08588 2/20 0.44
▸ NCF1 P14598 1/20 0.44
▸ PIM3 Q86V86 7/20 0.44
▸ PIM2 Q9P1W9 7/20 0.44
▸ PLD1 Q13393 1/20 0.43
▸ HTR3E A5X5Y0 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40

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 0.87 PRKCQ (0.67) PRKCQPRKCDPRKCAPIM1PIM3
SCHEMBL9881992 0.87 PRKCQ (0.53) PRKCQPRKCDPRKCAPIM1ADRB1
SCHEMBL9882041 0.85 ADRB1 (0.48) PRKCQPRKCDPRKCAPIM1ADRB1
SCHEMBL9881935 0.84 PRKCQ (0.53) PRKCQPRKCDPRKCAPIM1ADRB1
SCHEMBL9881994 0.84 PRKCQ (0.50) PRKCQPRKCDPRKCAPIM1ADRB1
SCHEMBL9882000 0.84 PRKCQ (0.50) PRKCQPRKCDPRKCAPIM1ADRB1
SCHEMBL9881918 0.83 PRKCQ (0.38) PRKCQPRKCDPRKCAPDE10A
SCHEMBL9881936 0.82 PRKCA (0.64) PRKCQPRKCDPRKCAPIM1PIM3
SCHEMBL1834932 0.82 PRKCQ (0.49) PRKCQPRKCDPRKCAPIM1PIM3
SCHEMBL9882039 0.81 PRKCQ (0.52) PRKCQPRKCDPRKCAPIM1ADRB1

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 7 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-8569337-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-29 — — 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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