SCHEMBL21396058

SCHEMBL21396058

COc1cnc2c(-c3nc4ccccc4s3)cc(C)cc2n1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 17/20 0.76
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
HCRTR1 O43613 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL19783058 0.86 F2RL3 (1.00) F2RL3
SCHEMBL19782732 0.86 F2RL3 (0.58) F2RL3
SCHEMBL21395654 0.86 F2RL3 (0.67) F2RL3
SCHEMBL21395454 0.84 F2RL3 (0.64) F2RL3
SCHEMBL30187584 0.84 F2RL3 (0.64) F2RL3
SCHEMBL19783624 0.84 F2RL3 (0.64) F2RL3KDM4EMEN1HCRTR1ALDH1A1
SCHEMBL21395779 0.82 F2RL3 (0.66) F2RL3
SCHEMBL30187634 0.82 F2RL3 (0.66) F2RL3
SCHEMBL19782563 0.82 F2RL3 (0.57) F2RL3
SCHEMBL30187705 0.82 F2RL3 (0.57) F2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
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 2/4885KDM4E 1865/4885MEN1 1767/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 F2RL3 2/4885KDM4E 2420/4885MEN1 1492/4885

“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.