SCHEMBL19783432

SCHEMBL19783432

CCOc1ccc2nc(Br)sc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.69
ALDH1A1 P00352 5/20 0.69
TP53 P04637 4/20 0.69
HSD17B10 Q99714 3/20 0.69
CYP3A4 P08684 2/20 0.69
TSHR P16473 1/20 0.69
TDP1 Q9NUW8 5/20 0.61
LMNA P02545 3/20 0.61
KDM4E B2RXH2 2/20 0.61
PKM P14618 2/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA3 P07451 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
CA5A P35218 1/20 0.61
CA7 P43166 1/20 0.61
HIF1A Q16665 1/20 0.61
CA9 Q16790 1/20 0.61

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
SCHEMBL14782318 0.88 ALDH1A1 (0.55) KMT2AALDH1A1TP53HSD17B10CYP3A4
SCHEMBL16155847 0.87 KMT2A (0.54) KMT2AALDH1A1TP53HSD17B10CYP3A4
SCHEMBL8261943 0.83 KMT2A (0.69) KMT2AALDH1A1TP53HSD17B10CYP3A4
SCHEMBL1748243 0.82 KMT2A (1.00) KMT2AALDH1A1TP53HSD17B10CYP3A4
SCHEMBL233589 0.82 CYP3A4 (1.00) KMT2AALDH1A1TP53HSD17B10CYP3A4
SCHEMBL346596 0.82 KMT2A (0.68) KMT2AALDH1A1TP53HSD17B10CYP3A4
SCHEMBL5828253 0.82 KMT2A (0.68) KMT2AALDH1A1TP53HSD17B10CYP3A4
SCHEMBL10271734 0.82 KMT2A (0.68) KMT2AALDH1A1TP53HSD17B10CYP3A4
SCHEMBL9122685 0.82 KMT2A (0.68) KMT2AALDH1A1TP53HSD17B10CYP3A4
SCHEMBL299010 0.81 CYP1A2 (0.67) KMT2AALDH1A1TP53CYP3A4TSHR

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 KMT2A 2420/4885ALDH1A1 1618/4885TP53 2258/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 KMT2A 2390/4885ALDH1A1 1598/4885TP53 1775/4885

“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.