SCHEMBL19783303

SCHEMBL19783303

CC(=O)OCCOc1nc2sc(Br)nc2cc1F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.38
HTT P42858 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APP P05067 1/20 0.33
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31

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
SCHEMBL19783785 0.88 ACACB (0.37) ACACBHTTPDE3BPDE3AP2RY12
SCHEMBL19783224 0.76 ACACB (0.36) ACACB
SCHEMBL19783497 0.74 F2RL3 (0.49)
SCHEMBL19783409 0.69 IKBKB (0.43) ACACBHTTPDE3BPDE3AP2RY12
SCHEMBL19783196 0.68 PIK3CA (0.42) ACACB
SCHEMBL13117392 0.66 HTT (0.40) HTTPDE3BPDE3AP2RY12L3MBTL1
SCHEMBL11565213 0.66 HTT (0.40) HTTPDE3BPDE3AP2RY12L3MBTL1
SCHEMBL14720326 0.65 RAD52 (0.43) CHRM5CHRM1
SCHEMBL13117396 0.63 PKM (0.39) HTTL3MBTL1CYP1A2
SCHEMBL21379587 0.63 ACACB (0.41) ACACB

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 3 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
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO 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 ACACB 3722/4885HTT 2480/4885PDE3B 594/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ACACB 3741/4885HTT 2559/4885PDE3B 376/4885

“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.