SCHEMBL1834932

SCHEMBL1834932

c1cnc2[nH]nc(-c3nccc(N4CCNCC4)n3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 2/20 0.49
▸ PRKCD Q05655 2/20 0.49
▸ PRKCA P17252 1/20 0.49
▸ CYP1A2 P05177 3/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.46
▸ PIM1 P11309 8/20 0.44
▸ PIM3 Q86V86 3/20 0.44
▸ PIM2 Q9P1W9 3/20 0.44
▸ PLD1 Q13393 1/20 0.43
▸ HRH4 Q9H3N8 4/20 0.43
▸ HTR2C P28335 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CLK4 Q9HAZ1 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
SCHEMBL15274025 0.87 CYP1A2 (0.56) CYP1A2HRH3HSD17B10PIM1PIM3
SCHEMBL9881936 0.83 PRKCA (0.64) PRKCQPRKCDPRKCAPIM1PIM3
SCHEMBL9881930 0.82 PRKCQ (0.54) PRKCQPRKCDPRKCACYP1A2HRH3
SCHEMBL9882034 0.81 PRKCQ (0.67) PRKCQPRKCDPRKCAPIM1PIM3
SCHEMBL9881992 0.81 PRKCQ (0.53) PRKCQPRKCDPRKCACYP1A2HRH3
SCHEMBL27062796 0.81 CCNT1 (0.51) PRKCQPRKCDPRKCAPIM1PIM3
SCHEMBL17525868 0.80 PIM1 (0.53) PRKCQPRKCDPRKCAPIM1PIM3
SCHEMBL9881926 0.79 PIM1 (0.65) PRKCQPRKCDPRKCAPIM1PIM3
SCHEMBL9882009 0.79 PRKCQ (0.59) PRKCQPRKCDPRKCA
SCHEMBL9881994 0.78 PRKCQ (0.50) PRKCQPRKCDPRKCACYP1A2HSD17B10

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 16 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
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-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-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-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
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-05-31 — — US disclosed
EP-2318408-A2 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2011-05-11 — — EP disclosed
WO-2010011772-A2 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 — — WO disclosed
WO-2010011772-A2 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 — — WO 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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