SCHEMBL9946780

SCHEMBL9946780

CNc1cc(N2CCC(F)CC2)c(C(=O)NCC(F)(F)F)cc1N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 9/20 0.44
AXL P30530 4/20 0.35
LGMN Q99538 2/20 0.32
NTRK1 P04629 1/20 0.32
JAK2 O60674 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
ULK1 O75385 1/20 0.32
CTSS P25774 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
SCHEMBL9944992 0.93 PTGES (0.40) PTGESAXLLGMNKDM4ENPC1
SCHEMBL9946857 0.92 PTGES (0.39) PTGESLGMN
SCHEMBL9946576 0.92 PTGES (0.45) PTGES
SCHEMBL9898559 0.90 PTGES (0.47) PTGES
SCHEMBL9946611 0.89 PTGES (0.45) PTGESAXLLGMNNTRK1JAK2
SCHEMBL9944821 0.88 ALOX15 (0.39) PTGESLGMNJAK2KDM4ENPC1
SCHEMBL9946853 0.82 PTGES (0.46) PTGES
SCHEMBL9944999 0.82 KDM4E (0.39) PTGESKDM4EALDH1A1MAPT
SCHEMBL9898794 0.81 PTGES (0.48) PTGES
SCHEMBL9946862 0.81 PTGES (0.45) PTGESKDM4EALDH1A1MAPT

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 3/4885AXL 4381/4885LGMN 1279/4885

“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.