SCHEMBL9882142

SCHEMBL9882142

O=C1CN(c2ccc(C(F)(F)F)c(-c3n[nH]c4ncccc34)n2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 4/20 0.46
▸ PIM3 Q86V86 1/20 0.44
▸ PIM2 Q9P1W9 1/20 0.44
▸ PRKCQ Q04759 2/20 0.43
▸ PRKCD Q05655 2/20 0.43
▸ LRRK2 Q5S007 5/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ SOS1 Q07889 1/20 0.36
▸ ADRB2 P07550 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL9882206 0.87 PRKCQ (0.51) PIM1PIM3PIM2PRKCQPRKCD
SCHEMBL9881935 0.87 PRKCQ (0.53) PIM1PIM3PIM2PRKCQPRKCD
SCHEMBL9882043 0.83 PRKCQ (0.49) PIM1PIM3PIM2PRKCQPRKCD
SCHEMBL15275372 0.82 PRKCQ (0.54) PIM1PRKCQPRKCD
SCHEMBL9882062 0.82 PRKCQ (0.54) PIM1PRKCQPRKCD
SCHEMBL9882063 0.82 PRKCQ (0.54) PIM1PRKCQPRKCD
SCHEMBL9882024 0.81 PRKCQ (0.44) PIM1PRKCQPRKCDEPHX2CDK4
SCHEMBL9882008 0.81 PRKCQ (0.57) PIM1PRKCQPRKCD
SCHEMBL9882073 0.80 PRKCQ (0.48) PIM1PIM3PIM2PRKCQPRKCD
SCHEMBL9882081 0.80 PRKCQ (0.45) PIM1PRKCQPRKCDCCNT1CDK9

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 305/4885PIM3 363/4885PIM2 285/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PIM1 305/4885PIM3 363/4885PIM2 285/4885

“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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