SCHEMBL9882362

SCHEMBL9882362

NCC1CN(c2cc(C(F)(F)F)cc(-c3n[nH]c4ncccc34)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 13/20 0.43
▸ PRKD1 Q15139 1/20 0.38
▸ PRKD2 Q9BZL6 1/20 0.38
▸ PTPN11 Q06124 2/20 0.36
▸ PRKCQ Q04759 1/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR6 P50406 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
SCHEMBL9882350 0.93 PIM1 (0.52) PIM1PRKD1PRKD2PTPN11PRKCQ
SCHEMBL9882361 0.91 PIM1 (0.47) PIM1PRKD1PRKD2PTPN11
SCHEMBL9882338 0.91 PIM1 (0.51) PIM1PRKD1PRKD2PTPN11MAPT
SCHEMBL9882054 0.83 PIM1 (0.49) PIM1PRKD1PRKD2
SCHEMBL9882040 0.82 PRKD1 (0.53) PIM1PRKD1PRKD2PRKCQ
SCHEMBL9882301 0.80 PRKCQ (0.44) PIM1PTPN11PRKCQMAPT
SCHEMBL9882349 0.79 PRKCQ (0.40) PIM1PRKD1PRKD2PRKCQ
SCHEMBL9882001 0.78 PRKCQ (0.57) PRKCQ
SCHEMBL9882282 0.77 PRKCQ (0.60) PIM1PRKD1PRKD2PRKCQ
SCHEMBL9882316 0.77 PRKCQ (0.44) PIM1PRKCQMAPT

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 305/4885PRKD1 96/4885PRKD2 76/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PIM1 305/4885PRKD1 96/4885PRKD2 76/4885

“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.

Send feedback