SCHEMBL9882040

SCHEMBL9882040

FC(F)(F)c1cc(-c2n[nH]c3ncccc23)nc(N2CCNCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKD1 Q15139 1/20 0.53
▸ PRKD2 Q9BZL6 1/20 0.53
▸ PIM1 P11309 15/20 0.51
▸ ADRB1 P08588 1/20 0.49
▸ PRKCQ Q04759 2/20 0.48
▸ PRKCD Q05655 2/20 0.48
▸ PRKCA P17252 1/20 0.48
▸ PIM3 Q86V86 5/20 0.46
▸ PIM2 Q9P1W9 5/20 0.46
▸ KARS1 Q15046 1/20 0.44

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
SCHEMBL9882054 0.87 PIM1 (0.49) PRKD1PRKD2PIM1PIM3PIM2
SCHEMBL9882039 0.85 PRKCQ (0.52) PIM1ADRB1PRKCQPRKCDPRKCA
SCHEMBL9882338 0.84 PIM1 (0.51) PRKD1PRKD2PIM1
SCHEMBL9882362 0.82 PIM1 (0.43) PRKD1PRKD2PIM1PRKCQ
SCHEMBL9882038 0.82 PRKCQ (0.47) PRKD1PRKD2PIM1PRKCQPRKCD
SCHEMBL9882001 0.81 PRKCQ (0.57) PRKCQPRKCDPRKCA
SCHEMBL9882374 0.81 PRKCQ (0.48) PIM1PRKCQPRKCDPRKCAPIM3
SCHEMBL9881936 0.81 PRKCA (0.64) PIM1PRKCQPRKCDPRKCAPIM3
SCHEMBL9882350 0.81 PIM1 (0.52) PRKD1PRKD2PIM1PRKCQ
SCHEMBL17525868 0.80 PIM1 (0.53) PIM1PRKCQPRKCDPRKCAPIM3

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 PRKD1 96/4885PRKD2 76/4885PIM1 305/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PRKD1 96/4885PRKD2 76/4885PIM1 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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