SCHEMBL9882256

SCHEMBL9882256

CC1(N)CCCN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 5/20 0.50
▸ PRKCQ Q04759 10/20 0.43
▸ PRKCD Q05655 7/20 0.43
▸ ROCK2 O75116 2/20 0.39
▸ ROCK1 Q13464 2/20 0.39
▸ CDC42BPA Q5VT25 2/20 0.39
▸ CDC42BPB Q9Y5S2 2/20 0.39
▸ PRKCA P17252 1/20 0.38
▸ PTPN11 Q06124 3/20 0.37
▸ PIM2 Q9P1W9 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
SCHEMBL9882261 0.88 PIM1 (0.48) PIM1PRKCQPRKCDROCK2ROCK1
SCHEMBL9882229 0.86 PRKCQ (0.42) PIM1PRKCQPRKCDPRKCA
SCHEMBL9882216 0.83 PRKCQ (0.54) PIM1PRKCQPRKCDROCK2ROCK1
SCHEMBL9882295 0.82 PRKCQ (0.41) PIM1PRKCQPRKCDPRKCAPTPN11
SCHEMBL9882241 0.82 PRKCQ (0.42) PIM1PRKCQPRKCDPRKCA
SCHEMBL9882220 0.82 PRKCQ (0.42) PIM1PRKCQPRKCDPRKCA
SCHEMBL9882219 0.82 PRKCQ (0.42) PIM1PRKCQPRKCDPRKCA
SCHEMBL9882133 0.81 PRKCQ (0.48) PRKCQPRKCDROCK2ROCK1CDC42BPA
SCHEMBL9882283 0.80 PRKCQ (0.41) PIM1PRKCQPRKCDROCK2ROCK1
SCHEMBL9882265 0.80 PRKCQ (0.41) PIM1PRKCQPRKCDROCK2ROCK1

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 6 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-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 PIM1 305/4885PRKCQ 51/4885PRKCD 144/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PIM1 305/4885PRKCQ 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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