SCHEMBL9882247

SCHEMBL9882247

NC(=O)C1CCCN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PBK Q96KB5 1/20 0.46
▸ PRKCQ Q04759 8/20 0.42
▸ PRKCD Q05655 5/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ EIF2AK4 Q9P2K8 1/20 0.42
▸ PIM1 P11309 3/20 0.41
▸ ATR Q13535 1/20 0.40
▸ ATRIP Q8WXE1 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LRRK2 Q5S007 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ SCN9A Q15858 1/20 0.39

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
SCHEMBL9882240 0.86 PIM1 (0.49) PRKCQPRKCDPIM1
SCHEMBL9883376 0.83 PIM1 (0.46) PRKCQPRKCDPRKCAPIM1
SCHEMBL9882269 0.83 PIM1 (0.46) PRKCQPRKCDPRKCAPIM1
SCHEMBL9882260 0.83 PRKCQ (0.46) PRKCQPRKCDPRKCAPIM1
SCHEMBL9882249 0.83 PIM1 (0.53) PRKCQPRKCDPRKCAPIM1KDM4E
SCHEMBL9882248 0.82 PIM1 (0.42) PRKCQPRKCDPRKCAPIM1KDM4E
SCHEMBL9882213 0.82 PRKCQ (0.46) PRKCQPRKCDPRKCAPIM1
SCHEMBL9882216 0.81 PRKCQ (0.54) PRKCQPRKCDPRKCAPIM1
SCHEMBL9882283 0.81 PRKCQ (0.41) PRKCQPRKCDPRKCAPIM1
SCHEMBL9882265 0.81 PRKCQ (0.41) PRKCQPRKCDPRKCAPIM1

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 PBK 768/4885PRKCQ 51/4885PRKCD 144/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PBK 768/4885PRKCQ 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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