SCHEMBL19782405

SCHEMBL19782405

COc1cc(C)c(NC(N)=S)cn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.47
PI4KB Q9UBF8 1/20 0.40
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
POLB P06746 1/20 0.36
TNIK Q9UKE5 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CYP2A6 P11509 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3932458 0.80 NNMT (0.54) NNMTPI4KBMEN1PABPC1KMT2A
SCHEMBL19780075 0.79 NNMT (0.53) NNMTPI4KBMEN1PABPC1KMT2A
SCHEMBL25882888 0.75 NNMT (0.47) NNMTPI4KBMEN1PABPC1KMT2A
SCHEMBL29856239 0.75 HSD17B10 (0.53) NNMTL3MBTL1MEN1PABPC1KMT2A
SCHEMBL7681674 0.73 NNMT (0.47) NNMTPI4KBMEN1PABPC1KMT2A
SCHEMBL29713519 0.73 NNMT (0.47) NNMTPI4KBMEN1PABPC1KMT2A
SCHEMBL18550649 0.73 ALDH1A1 (0.52) L3MBTL1MEN1KMT2AMAPTKDM4E
SCHEMBL8295755 0.71 MAPT (0.54) L3MBTL1MEN1KMT2AMAPTKDM4E
SCHEMBL11058685 0.71 L3MBTL1 (0.40) L3MBTL1MEN1KMT2AMAPTCYP1A2
SCHEMBL17315549 0.71 NNMT (0.44) NNMTTNIKCYP2A6

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 NNMT 3354/4885L3MBTL1 1998/4885PI4KB 1336/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 NNMT 2983/4885L3MBTL1 1728/4885PI4KB 715/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 NNMT 3354/4885L3MBTL1 1998/4885PI4KB 1336/4885

“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.