SCHEMBL21395891

SCHEMBL21395891

COc1cc(C(O)C2(C(F)(F)F)CCC2)c2nc(N)sc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.33
HSD17B10 Q99714 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
SLC6A2 P23975 1/20 0.33
SCN4A P35499 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL19782704 0.87 ALDH1A1 (0.32) ALDH1A1PPARA
SCHEMBL19783802 0.80 CYP3A4 (0.36) CYP3A4CYP1A2CYP2C19MAPTHSD17B10
SCHEMBL21395713 0.76 MAPT (0.39) CYP3A4CYP1A2CYP2C19MAPTHSD17B10
SCHEMBL22341810 0.76 F2RL3 (0.37)
SCHEMBL30189825 0.76 F2RL3 (0.40)
SCHEMBL19783811 0.76 F2RL3 (0.40)
SCHEMBL21379356 0.76 CYP3A4 (0.41) CYP3A4CYP1A2CYP2C19MAPTHSD17B10
SCHEMBL30187648 0.75 F2RL3 (0.56)
SCHEMBL19783595 0.75 CYP3A4 (0.38) CYP3A4CYP1A2CYP2C19MAPTHSD17B10
SCHEMBL21396095 0.74 F2RL3 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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

“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.