SCHEMBL19783616

SCHEMBL19783616

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
P2RY12 Q9H244 1/20 0.34
KMT2A Q03164 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BCL2 P10415 1/20 0.30
BCL2L1 Q07817 1/20 0.30
MCL1 Q07820 1/20 0.30
BAD Q92934 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
SCHEMBL19783633 0.87 MAPT (0.41) APPPDE3BPDE3AP2RY12HTT
SCHEMBL28941102 0.81 KDM4E (0.42) PDE3BPDE3AP2RY12KMT2AHTT
SCHEMBL21395608 0.81 ALDH1A1 (0.38) KMT2AHTTNPC1ALDH1A1L3MBTL1
SCHEMBL30189893 0.81 ALDH1A1 (0.38) KMT2AHTTNPC1ALDH1A1L3MBTL1
SCHEMBL19783636 0.74 ALDH1A1 (0.32) NPC1ALDH1A1
SCHEMBL30189869 0.74 ALDH1A1 (0.32) NPC1ALDH1A1
SCHEMBL21395618 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL28941166 0.68 MAPT (0.45) PDE3BPDE3AP2RY12ALDH1A1
SCHEMBL21379708 0.66 CYP3A4 (0.44) ALDH1A1
SCHEMBL30189761 0.65 CA12 (0.44) CA1CA2

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 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
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 APP 2691/4885PDE3B 594/4885PDE3A 775/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 APP 2284/4885PDE3B 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.