SCHEMBL21395863

SCHEMBL21395863

CCc1cnc2c(-c3nc4c(C)cc(OCCNS(=O)(=O)c5ccc(F)cc5)cc4s3)cc(CO)cc2n1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 6/20 0.64
GLRA3 O75311 1/20 0.38
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 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
SCHEMBL19783277 0.91 F2RL3 (0.74) F2RL3GLRA3MAPTTP53TDP1
SCHEMBL19783695 0.91 F2RL3 (0.74) F2RL3
SCHEMBL30187726 0.91 F2RL3 (0.74) F2RL3
SCHEMBL19783425 0.89 F2RL3 (0.73) F2RL3GLRA3
SCHEMBL30187555 0.85 F2RL3 (0.72) F2RL3MAPTTP53
SCHEMBL19782619 0.85 F2RL3 (0.72) F2RL3MAPTTP53
SCHEMBL21379388 0.85 F2RL3 (0.76) F2RL3GLRA3MAPTTP53TDP1
SCHEMBL19782546 0.84 F2RL3 (0.85) F2RL3GLRA3MAPTTP53TDP1
SCHEMBL30187636 0.84 F2RL3 (0.85) F2RL3GLRA3MAPTTP53TDP1
SCHEMBL19782614 0.84 F2RL3 (0.63) F2RL3GLRA3MAPTPOLBTP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 F2RL3 2/4885GLRA3 1238/4885MAPT 1432/4885

“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.