SCHEMBL19783032

SCHEMBL19783032

COc1cc(CO)c2nc(Br)sc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
NPC1 O15118 7/20 0.35
RAB9A P51151 7/20 0.35
SMN1; SMN2 Q16637 7/20 0.35
ATAD2 Q6PL18 1/20 0.35
DYRK1A Q13627 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
HTT P42858 1/20 0.34
CASP2 P42575 1/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
TP53 P04637 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL21379631 0.88 NPC1 (0.33) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL19783817 0.84 CYP1A2 (0.33) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL19782561 0.82 SLC6A4 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL19782939 0.77 F2RL3 (0.43) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL19782620 0.77 F2RL3 (0.45) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL19783358 0.76 F2RL3 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C19PDK1
SCHEMBL30189743 0.76 F2RL3 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C19PDK1
SCHEMBL19782618 0.76 F2RL3 (0.44) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL19783563 0.74 CA1 (0.39) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL19783494 0.74 ATAD2 (0.36) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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 ALDH1A1 1598/4885KDM4E 2420/4885PDE4A 271/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 ALDH1A1 1618/4885KDM4E 1865/4885PDE4A 344/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ALDH1A1 1598/4885KDM4E 2420/4885PDE4A 271/4885

“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.