SCHEMBL19783802

SCHEMBL19783802

COC(=O)C1(C(O)c2cc(OC)cc3sc(N)nc23)CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 3/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
PKM P14618 1/20 0.32
KCNH2 Q12809 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
USP9X Q93008 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 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
SCHEMBL21395713 0.90 MAPT (0.39) CYP3A4CYP1A2CYP2C19MAPTKDM4E
SCHEMBL19783656 0.87 USP9X (0.33) CYP3A4CYP1A2CYP2C19MAPTKDM4E
SCHEMBL21395891 0.80 CYP3A4 (0.37) CYP3A4CYP1A2CYP2C19MAPTTP53
SCHEMBL21379620 0.78 KMT2A (0.34) MAPTKDM4ESMN1; SMN2USP9XALDH1A1
SCHEMBL21379488 0.77 CYP3A4 (0.39) CYP3A4CYP1A2CYP2C19MAPTKDM4E
SCHEMBL19782676 0.73 MAPT (0.35) CYP3A4CYP1A2CYP2C19MAPTTP53
SCHEMBL19783595 0.70 CYP3A4 (0.38) CYP3A4CYP1A2CYP2C19MAPTKDM4E
SCHEMBL21379670 0.69 MAPT (0.39) CYP3A4CYP1A2CYP2C19MAPTKDM4E
SCHEMBL19782407 0.69 CYP3A4 (0.47) CYP3A4CYP1A2CYP2C19MAPTKDM4E
SCHEMBL21379367 0.68 CYP3A4 (0.44) CYP3A4CYP1A2CYP2C19MAPTTP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP3A4 15/4885CYP1A2 200/4885CYP2C19 64/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CYP3A4 18/4885CYP1A2 176/4885CYP2C19 61/4885

“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.