SCHEMBL9882075

SCHEMBL9882075

NCC1CCCN(c2ccc(C(F)(F)F)c(-c3n[nH]c4ncccc34)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 2/20 0.46
▸ PRKCQ Q04759 3/20 0.44
▸ PRKCD Q05655 1/20 0.44
▸ PIM1 P11309 10/20 0.42
▸ MAPT P10636 1/20 0.40
▸ MAP4K4 O95819 1/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ PRKCA P17252 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ CDK4 P11802 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ CDC42BPA Q5VT25 1/20 0.36
▸ CDC42BPB Q9Y5S2 1/20 0.36

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
SCHEMBL9882297 0.95 PIM1 (0.47) PTPN11PRKCQPRKCDPIM1MAPT
SCHEMBL9882292 0.95 PIM1 (0.47) PTPN11PRKCQPRKCDPIM1MAPT
SCHEMBL9882209 0.91 PRKCQ (0.44) PTPN11PRKCQPRKCDPIM1MAPT
SCHEMBL15275454 0.91 PRKCQ (0.44) PTPN11PRKCQPRKCDPIM1MAPT
SCHEMBL9882301 0.91 PRKCQ (0.44) PTPN11PRKCQPRKCDPIM1MAPT
SCHEMBL9882074 0.89 MAPT (0.49) PTPN11PRKCQPRKCDPIM1MAPT
SCHEMBL9882272 0.89 PRKCQ (0.46) PTPN11PRKCQPRKCDPIM1MAPT
SCHEMBL9882030 0.89 PRKCQ (0.46) PTPN11PRKCQPRKCDPIM1MAPT
SCHEMBL9883376 0.88 PIM1 (0.46) PTPN11PRKCQPRKCDPIM1MAPT
SCHEMBL9882269 0.88 PIM1 (0.46) PTPN11PRKCQPRKCDPIM1MAPT

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 PTPN11 775/4885PRKCQ 51/4885PRKCD 144/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PTPN11 775/4885PRKCQ 51/4885PRKCD 144/4885

“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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