SCHEMBL21379620

SCHEMBL21379620

CCOC(=O)C1(C(O)c2cc(OC)cc3sc(Cl)nc23)CCC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.34
MEN1 O00255 7/20 0.34
USP9X Q93008 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PTPN11 Q06124 1/20 0.31
CA2 P00918 1/20 0.31
GAA P10253 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
F2RL3 Q96RI0 1/20 0.30

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
SCHEMBL19783656 0.90 USP9X (0.33) KMT2AUSP9XALDH1A1NPC1RAB9A
SCHEMBL21395713 0.88 MAPT (0.39) KMT2AMEN1USP9XALDH1A1LMNA
SCHEMBL30189793 0.79 KMT2A (0.33) KMT2AALDH1A1
SCHEMBL19783795 0.79 KMT2A (0.33) KMT2AALDH1A1
SCHEMBL21379385 0.79 KMT2A (0.36) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL19783802 0.78 CYP3A4 (0.36) USP9XALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21379442 0.78 F2RL3 (0.51) F2RL3
SCHEMBL19782704 0.76 ALDH1A1 (0.32) KMT2AALDH1A1
SCHEMBL19782674 0.76 KMT2A (0.33) KMT2AALDH1A1
SCHEMBL21379691 0.70 NPC1 (0.34) KMT2AMEN1ALDH1A1LMNANPC1

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 6 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-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

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 2420/4885MEN1 1767/4885USP9X 2835/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 KMT2A 2390/4885MEN1 1492/4885USP9X 2975/4885

“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.