SCHEMBL9305900

SCHEMBL9305900

Oc1cccc2nc(Cl)sc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
ACHE P22303 1/20 0.45
NQO2 P16083 1/20 0.43
ALDH1A1 P00352 7/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PSMB8 P28062 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
CA2 P00918 2/20 0.37
TSHR P16473 1/20 0.37
PDPK1 O15530 1/20 0.36
PARP15 Q460N3 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
CYP1A2 P05177 2/20 0.34
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33

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
SCHEMBL1851438 0.81 PSMB8 (0.59) ALDH1A1MAPTGAAKMT2APSMB8
SCHEMBL660041 0.78 PSMB8 (0.40) ALDH1A1KMT2APSMB8TDP1PDPK1
SCHEMBL2748445 0.78 PSMB8 (0.40) NQO2ALDH1A1RAB9AKMT2APSMB8
SCHEMBL20969721 0.78 KDM4E (0.42) ALDH1A1MAPTGAARAB9AKMT2A
SCHEMBL4242805 0.78 PSMB8 (0.43) ALDH1A1MAPTGAARAB9AKMT2A
SCHEMBL20969720 0.76 ALDH1A1 (0.46) ALDH1A1MAPTGAARAB9AKMT2A
SCHEMBL4857995 0.75 APP (0.50) APPACHEALDH1A1MAPTGAA
SCHEMBL74889 0.75 PDPK1 (0.53) APPACHEALDH1A1MAPTGAA
SCHEMBL9305472 0.75 APP (0.46) APPACHENQO2ALDH1A1MAPT
SCHEMBL2749006 0.75 ALDH1A1 (0.58) NQO2ALDH1A1MAPTRAB9AKMT2A

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 12 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
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0129506-B1 HETEROCYCLICALLY SUBSTITUTED THIO(CYCLO)ALKANE POLYCARBOXYLIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed
EP-0129506-A2 Heterocyclically substituted thio(cyclo)alkane polycarboxylic acids CIBA-GEIGY AG (CH) 1984-12-27 EP 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 APP 2284/4885ACHE 1533/4885NQO2 851/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 APP 2691/4885ACHE 1193/4885NQO2 756/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 APP 2284/4885ACHE 1533/4885NQO2 851/4885

“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.