SCHEMBL4355645

SCHEMBL4355645

Cc1nc(-n2cncn2)ccc1Nc1ncnc2c1cnn2C1CCN(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.46
CYP3A4 P08684 2/20 0.46
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
HSD17B10 Q99714 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
MAPK14 Q16539 4/20 0.35
GPR119 Q8TDV5 4/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
NR2F2 P24468 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
SCHEMBL1128601 0.89 CYP3A4 (0.61) CYP2C9CYP3A4ABL1BCRGPR119
SCHEMBL27834973 0.87 CYP3A4 (0.40) CYP2C9CYP3A4ABL1BCRHSD17B10
SCHEMBL4358211 0.83 CYP3A4 (0.46) CYP2C9CYP3A4KDM4EPOLBGPR119
SCHEMBL4362383 0.83 CYP2C9 (0.55) CYP2C9CYP3A4GPR119
SCHEMBL4358196 0.82 CYP3A4 (0.51) CYP2C9CYP3A4ABL1BCRHSD17B10
SCHEMBL1449737 0.78 GPR119 (0.35) CYP2C9KDM4EPOLBGPR119
SCHEMBL12596521 0.77 GPR119 (0.47) CYP2C9CYP3A4GPR119
SCHEMBL2372073 0.77 GPR119 (0.57) CYP2C9GPR119
SCHEMBL4352336 0.73 CYP3A4 (0.79) CYP2C9CYP3A4GPR119
SCHEMBL1128604 0.73 GPR119 (0.49) CYP2C9CYP3A4GPR119

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 CYP2C9 917/4885CYP3A4 1503/4885ABL1 2653/4885

“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.