SCHEMBL19783633

SCHEMBL19783633

CC(=O)OCCOc1cc(C(=O)C(C)(C)C)c2nc(N)sc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
CYP3A4 P08684 3/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
KCNH2 Q12809 1/20 0.33
APP P05067 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NSD1 Q96L73 1/20 0.31
HPGD P15428 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
FBP1 P09467 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
SCHEMBL19783616 0.87 APP (0.34) PDE3BPDE3AP2RY12ALDH1A1CA1
SCHEMBL28941166 0.81 MAPT (0.45) MAPTPDE3BPDE3AP2RY12CYP3A4
SCHEMBL21379708 0.81 CYP3A4 (0.44) MAPTCYP3A4HSD17B10ALDH1A1KCNH2
SCHEMBL19783109 0.74 NSD1 (0.42) MAPTCYP3A4HSD17B10ALDH1A1TP53
SCHEMBL30189877 0.74 NSD1 (0.42) MAPTCYP3A4HSD17B10ALDH1A1TP53
SCHEMBL21396110 0.71 HSD17B10 (0.38) MAPTCYP3A4HSD17B10ALDH1A1TP53
SCHEMBL28941102 0.68 KDM4E (0.42) MAPTPDE3BPDE3AP2RY12CYP3A4
SCHEMBL10432265 0.68 MAPT (0.41) MAPTCYP3A4HSD17B10ALDH1A1TP53
SCHEMBL21379478 0.67 CYP3A4 (0.43) MAPTCYP3A4HSD17B10ALDH1A1TP53
SCHEMBL21395608 0.66 ALDH1A1 (0.38) MAPTCYP3A4ALDH1A1TSHRHTT

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 MAPT 1155/4885PDE3B 376/4885PDE3A 435/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 MAPT 1432/4885PDE3B 594/4885PDE3A 775/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 MAPT 1155/4885PDE3B 376/4885PDE3A 435/4885

“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.