SCHEMBL9946585

SCHEMBL9946585

CNc1cc(NCc2nccn2C)c(C(=O)N[C@H]2CC[C@H](C(F)(F)F)CC2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 8/20 0.53
TRPM5 Q9NZQ8 1/20 0.36
CD38 P28907 2/20 0.36
TYK2 P29597 3/20 0.36
IRAK4 Q9NWZ3 5/20 0.35
TTK P33981 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
SCHEMBL9947006 1.00 PTGES (0.53) PTGESTRPM5CD38TYK2IRAK4
SCHEMBL9944937 0.90 PTGES (0.43) PTGESCD38
SCHEMBL9947005 0.84 PTGES (0.52) PTGESCD38TYK2
SCHEMBL9946715 0.84 PTGES (0.52) PTGESCD38TYK2
SCHEMBL9946693 0.80 PTGES (0.46) PTGESIRAK4
SCHEMBL9947033 0.80 PTGES (0.46) PTGESIRAK4
SCHEMBL9942023 0.77 PTGES (0.47) PTGESCD38TYK2TTK
SCHEMBL11970141 0.76 HPGD (0.42) PTGES
SCHEMBL10170842 0.76 HPGD (0.42) PTGES
SCHEMBL9944936 0.76 PTGES (0.41) PTGESCD38

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 3/4885TRPM5 1676/4885CD38 469/4885

“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.