SCHEMBL4354281

SCHEMBL4354281

Fc1cc(Oc2ncnc3c2cnn3C2CCNCC2)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
BRD4 O60885 1/20 0.41
FLT3 P36888 2/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
KDR P35968 6/20 0.37
BRAF P15056 4/20 0.37
EPAS1 Q99814 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LCK P06239 1/20 0.34
MAPK14 Q16539 1/20 0.33
PLK4 O00444 1/20 0.33
PAK4 O96013 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
SCHEMBL1129100 0.82 CYP3A4 (0.65) CYP3A4FLT3KDRCYP2C9
SCHEMBL4358365 0.80 ABL1 (0.57) CYP3A4FLT3ABL1BCRKDR
SCHEMBL4363438 0.79 CYP3A4 (0.49) CYP3A4BRD4FLT3ABL1BCR
SCHEMBL4358920 0.79 BRAF (0.51) CYP3A4FLT3ABL1BCRKDR
Hydrochloric Acid SCHEMBL1128930 0.76 CYP3A4 (0.41) CYP3A4FLT3ABL1BCRCYP2C9
SCHEMBL1128845 0.74 CYP3A4 (0.55) CYP3A4FLT3ABL1BCRKDR
SCHEMBL4357333 0.73 CYP3A4 (0.42) CYP3A4ABL1BCRKDRLCK
SCHEMBL9006277 0.73 SRC (0.45) CYP3A4FLT3ABL1BCRLCK
SCHEMBL4359027 0.72 CYP3A4 (0.38) CYP3A4CYP2C9PLK4PAK4
SCHEMBL1128588 0.72 CYP3A4 (0.70) CYP3A4FLT3CYP2C9MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 CYP3A4 1503/4885BRD4 3626/4885FLT3 2186/4885

“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.