SCHEMBL19783129

SCHEMBL19783129

COc1cc(Br)c2ncc(O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP3A4 P08684 2/20 0.38
ABL1 P00519 3/20 0.38
ABCB1 P08183 3/20 0.38
BCR P11274 3/20 0.38
FTO Q9C0B1 1/20 0.37
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
PRNP P04156 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
NPC1 O15118 4/20 0.35
ALOX5 P09917 3/20 0.35
PTGS2 P35354 3/20 0.35

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
Hydrochloric Acid SCHEMBL28941261 0.98 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4ABL1ABCB1
SCHEMBL19783646 0.85 ALDH1A1 (0.40) CYP11B1CYP11B2CYP3A4MAPTNPSR1
SCHEMBL2317853 0.79 ALDH1A1 (0.36) CYP3A4MAPTNPSR1PRNPALDH1A1
SCHEMBL19776262 0.79 PRNP (0.40) MAPTNPSR1PRNPALDH1A1RXFP1
SCHEMBL23796376 0.78 KDM4E (0.49) KDM4EHDAC6
SCHEMBL19776263 0.77 CA12 (0.34) NPSR1PRNPGAANQO2LMNA
SCHEMBL23795961 0.76 PSMD14 (0.50) CYP11B1CYP11B2MAPTALDH1A1KDM4E
SCHEMBL19776271 0.76 ALDH1A1 (0.36) CYP11B1CYP11B2CYP3A4MAPTNPSR1
SCHEMBL19776334 0.76 MAPT (0.39) CYP11B1CYP11B2CYP3A4MAPTNPSR1
SCHEMBL19776057 0.75 PLAU (0.35) MAPTNPSR1PRNPMEN1KMT2A

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 6 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-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 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 CYP11B1 376/4885CYP11B2 367/4885CYP3A4 15/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CYP11B1 239/4885CYP11B2 245/4885CYP3A4 18/4885

“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.