SCHEMBL9946642

SCHEMBL9946642

CNc1cc(N(C)C2CC2)c(C(=O)NCC(F)(F)F)cc1N

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.42
CFTR P13569 6/20 0.35
EZH2 Q15910 6/20 0.32
PRKCI P41743 1/20 0.32
MAPK14 Q16539 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL9946614 0.96 PTGES (0.44) PTGESCFTREZH2
SCHEMBL9944839 0.86 ALOX15 (0.40) PTGESEZH2PRKCI
SCHEMBL9946863 0.86 PTGES (0.45) PTGESCFTREZH2
SCHEMBL9944845 0.82 ALOX15 (0.44) PTGESEZH2
SCHEMBL9946813 0.81 PTGES (0.42) PTGESCFTRPRKCIMAPK14LOXL2
SCHEMBL9944996 0.81 EZH2 (0.37) PTGESEZH2
SCHEMBL9946636 0.77 PTGES (0.44) PTGES
SCHEMBL9946780 0.75 PTGES (0.44) PTGESJAK2
SCHEMBL9946619 0.74 PTGES (0.49) PTGESMAPK14CNR2
SCHEMBL9944904 0.73 RAB9A (0.44) CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
WO-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO 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 (1 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES PTGES 3/4885CFTR 1466/4885EZH2 3685/4885

“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.