SCHEMBL19782944

SCHEMBL19782944

COc1c(CO)cnc2c(Br)cc(C)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
GFER P55789 2/20 0.35
MAPT P10636 7/20 0.33
PDE5A O76074 1/20 0.32
L3MBTL1 Q9Y468 4/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
NQO2 P16083 1/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
LMNA P02545 2/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30

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
SCHEMBL30189732 0.86 LMNA (0.36) MAPTL3MBTL1KMT2ANQO2KDM4E
SCHEMBL19783367 0.86 LMNA (0.36) MAPTL3MBTL1KMT2ANQO2KDM4E
SCHEMBL15107572 0.81 MAPT (0.36) DPP4GFERMAPTPDE5APOLB
SCHEMBL19782606 0.79
SCHEMBL21379664 0.75 XDH (0.38) MAPTL3MBTL1POLBKMT2AHSD17B10
SCHEMBL19782607 0.75 MEN1 (0.47) DPP4MAPTKMT2AKDM4EALDH1A1
SCHEMBL15107573 0.71 DYRK1B (0.33) DPP4MAPTKMT2ANQO2ALDH1A1
SCHEMBL25281718 0.68 DPP4 (0.40) DPP4GFERMAPTKMT2AHSD17B10
SCHEMBL15107570 0.68 HTR2A (0.41) DPP4
SCHEMBL5146165 0.67 CA2 (0.40) GFERMAPTHSD17B10KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
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-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 (3 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 DPP4 73/4885GFER 2520/4885MAPT 1155/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 DPP4 44/4885GFER 2689/4885MAPT 1432/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 DPP4 73/4885GFER 2520/4885MAPT 1155/4885

“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.