SCHEMBL9881994

SCHEMBL9881994

c1ccc(-c2ccc(N3CCNCC3)nc2-c2n[nH]c3ncccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 2/20 0.50
▸ PRKCD Q05655 2/20 0.50
▸ PIM1 P11309 8/20 0.48
▸ PIM3 Q86V86 2/20 0.48
▸ PIM2 Q9P1W9 2/20 0.48
▸ PRKCA P17252 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ GBA1 P04062 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ NTRK1 P04629 4/20 0.43
▸ CSNK1D P48730 1/20 0.42
▸ MAPK11 Q15759 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ PLD1 Q13393 1/20 0.42
▸ HTR6 P50406 2/20 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
SCHEMBL9881930 0.84 PRKCQ (0.54) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9882034 0.83 PRKCQ (0.67) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9881992 0.83 PRKCQ (0.53) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9881993 0.81 PRKCQ (0.59) PRKCQPRKCDPRKCA
SCHEMBL9882000 0.80 PRKCQ (0.50) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9881935 0.80 PRKCQ (0.53) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9882043 0.79 PRKCQ (0.49) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL1834932 0.78 PRKCQ (0.49) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9881936 0.78 PRKCA (0.64) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9881926 0.77 PIM1 (0.65) PRKCQPRKCDPIM1PIM3PIM2

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 144/4885PIM1 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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