SCHEMBL5646091

SCHEMBL5646091

O=C(NCO)c1ccc([C@@H]2C[C@H]3C=C(c4c[nH]c(-c5ccc(F)cc5)c4-c4ccncc4)CCN3C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.56
MAPK11 Q15759 1/20 0.56
BUB1 O43683 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
ALOX5 P09917 1/20 0.33
USP5 P45974 1/20 0.33
GCGR P47871 1/20 0.33

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
SCHEMBL5667585 0.93 MAPK14 (0.55) MAPK14MAPK11BUB1GCGR
SCHEMBL5651554 0.93 MAPK14 (0.55) MAPK14MAPK11BUB1GCGR
SCHEMBL5667190 0.93 MAPK14 (0.55) MAPK14MAPK11BUB1ALOX5
SCHEMBL5652029 0.93 MAPK14 (0.55) MAPK14MAPK11BUB1ALOX5
SCHEMBL5665333 0.92 MAPK14 (0.54) MAPK14MAPK11BUB1
SCHEMBL5650860 0.92 MAPK14 (0.54) MAPK14MAPK11BUB1
SCHEMBL5751855 0.91 MAPK11 (0.58) MAPK14MAPK11ALOX5
SCHEMBL5650802 0.91 MAPK11 (0.58) MAPK14MAPK11ALOX5
SCHEMBL5651642 0.91 MAPK14 (0.53) MAPK14MAPK11BUB1
SCHEMBL5665821 0.91 MAPK14 (0.53) MAPK14MAPK11BUB1

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-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 MAPK14 467/4885MAPK11 520/4885BUB1 639/4885

“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.