SCHEMBL9944992

SCHEMBL9944992

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 11/20 0.40
JAK3 P52333 1/20 0.33
RORC P51449 1/20 0.33
CFTR P13569 2/20 0.32
AXL P30530 2/20 0.32
LGMN Q99538 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 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
SCHEMBL9946780 0.93 PTGES (0.44) PTGESAXLLGMNKDM4ENPC1
SCHEMBL9946857 0.91 PTGES (0.39) PTGESRORCCFTRLGMN
SCHEMBL9944999 0.89 KDM4E (0.39) PTGESKDM4EALDH1A1MAPT
SCHEMBL9944821 0.87 ALOX15 (0.39) PTGESJAK3LGMNKDM4ENPC1
SCHEMBL9898559 0.85 PTGES (0.47) PTGESCFTR
SCHEMBL9946576 0.84 PTGES (0.45) PTGES
SCHEMBL9945000 0.84 PTGES (0.40) PTGESALDH1A1MAPT
SCHEMBL9946611 0.81 PTGES (0.45) PTGESJAK3AXLLGMNALDH1A1
SCHEMBL9946862 0.80 PTGES (0.45) PTGESKDM4EALDH1A1MAPT
SCHEMBL9946853 0.79 PTGES (0.46) PTGESJAK3CFTR

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 2 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

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 3/4885JAK3 4188/4885RORC 350/4885

“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.