SCHEMBL9882261

SCHEMBL9882261

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 4/20 0.48
▸ PRKCQ Q04759 11/20 0.41
▸ PRKCD Q05655 2/20 0.41
▸ PRKCA P17252 10/20 0.39
▸ ROCK2 O75116 2/20 0.36
▸ ROCK1 Q13464 2/20 0.36
▸ CDC42BPA Q5VT25 2/20 0.36
▸ CDC42BPB Q9Y5S2 2/20 0.36
▸ PTPN11 Q06124 3/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ PRKCG P05129 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ JMJD7 P0C870 1/20 0.35
▸ PRKCH P24723 1/20 0.35
▸ PRKCE Q02156 1/20 0.35
▸ FLT3 P36888 1/20 0.35

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
SCHEMBL13537032 0.89 PRKCQ (0.48) PRKCQPRKCDPRKCAPTPN11GSK3B
SCHEMBL9882256 0.88 PIM1 (0.50) PIM1PRKCQPRKCDPRKCAROCK2
SCHEMBL9882230 0.86 PRKCQ (0.41) PIM1PRKCQPRKCDPRKCAGSK3B
SCHEMBL9882024 0.83 PRKCQ (0.44) PIM1PRKCQPRKCD
SCHEMBL9882291 0.83 PRKCQ (0.40) PIM1PRKCQPRKCDPRKCAPTPN11
SCHEMBL9882356 0.83 PRKCQ (0.42) PIM1PRKCQPRKCDPRKCAGSK3B
SCHEMBL9882391 0.83 PTPN11 (0.45) PRKCQPRKCDPRKCAPTPN11
SCHEMBL9882392 0.81 PTPN11 (0.41) PIM1PRKCQPRKCDPRKCAPTPN11
SCHEMBL15273796 0.81 PRKCQ (0.44) PRKCQPRKCDPRKCAPTPN11
SCHEMBL9882390 0.81 PTPN11 (0.41) PIM1PRKCQPRKCDPRKCAPTPN11

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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