SCHEMBL19783161

SCHEMBL19783161

COCOc1ccc2oc(B(O)O)cc2c1OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MGLL Q99685 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
F2RL3 Q96RI0 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
AR P10275 1/20 0.31
ABCB1 P08183 1/20 0.31
TUBB4A P04350 2/20 0.31
TUBB P07437 2/20 0.31
TUBA3C P0DPH7 2/20 0.31
TUBA1B P68363 2/20 0.31
TUBA4A P68366 2/20 0.31
TUBB4B P68371 2/20 0.31
TUBB3 Q13509 2/20 0.31
TUBB2A Q13885 2/20 0.31

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
SCHEMBL19782730 0.71 CYP1A1 (0.43) KDM4EHSD17B10ABCB1CYP3A4CYP2D6
SCHEMBL17541501 0.70 KDM4E (0.46) KDM4EMGLLHSD17B10TDP1CA12
SCHEMBL5782965 0.70 TUBB1 (0.36) TDP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29953361 0.64 TUBB4A (0.46) KDM4EHSD17B10CA12CA9TUBB4A
SCHEMBL5247264 0.64 ENPP2 (0.44) KDM4ETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7715011 0.64 TUBB4A (0.43) TDP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29955098 0.64 ENPP2 (0.44) CA12CA9TUBB4ATUBBTUBA3C
SCHEMBL28833259 0.64 TUBB4A (0.46) KDM4EHSD17B10CA12CA9TUBB4A
SCHEMBL29953461 0.63 KDM4E (0.51) KDM4EMGLLHSD17B10TDP1F2RL3
SCHEMBL15971537 0.62 GRM4 (0.39) KDM4EMGLLHSD17B10TDP1

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 KDM4E 1865/4885MGLL 3202/4885HSD17B10 2283/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 KDM4E 2420/4885MGLL 2831/4885HSD17B10 2146/4885

“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.