SCHEMBL21396092

SCHEMBL21396092

COc1cncc(NC(=O)OC[C@H](C)Oc2cc3sc(-c4cc(Cl)cc5cc(OC)cnc45)nc3c(Cl)c2F)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 18/20 0.49
DYRK1A Q13627 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL21395641 0.96 F2RL3 (0.47) F2RL3DYRK1A
SCHEMBL21395833 0.93 F2RL3 (0.44) F2RL3
SCHEMBL21395878 0.93 F2RL3 (0.49) F2RL3
SCHEMBL21395866 0.92 F2RL3 (0.47) F2RL3DYRK1A
SCHEMBL21396170 0.92 F2RL3 (0.48) F2RL3
SCHEMBL21395856 0.92 F2RL3 (0.46) F2RL3
SCHEMBL21396174 0.92 F2RL3 (0.48) F2RL3
SCHEMBL21395648 0.91 F2RL3 (0.51) F2RL3
SCHEMBL21396093 0.89 F2RL3 (0.50) F2RL3DYRK1A
SCHEMBL31113937 0.89 F2RL3 (0.50) F2RL3DYRK1A

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-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 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 (2 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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 F2RL3 2/4885DYRK1A 645/4885KDM4E 1865/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 F2RL3 2/4885DYRK1A 569/4885KDM4E 2420/4885

“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.