SCHEMBL12596555

SCHEMBL12596555

[C-]#[N+]c1ccc(Nc2ncnc3c2ccn3C2CCN(C(=O)OC(C)C)CC2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.46
GPR119 Q8TDV5 17/20 0.42
CYP2C9 P11712 4/20 0.39
KCNH2 Q12809 1/20 0.38
CYP3A4 P08684 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL12596617 0.90 PIP4K2A (0.42) PIP4K2AGPR119CYP2C9CYP3A4EGFR
SCHEMBL12596557 0.89 CYP3A4 (0.49) PIP4K2AGPR119CYP2C9CYP3A4EGFR
SCHEMBL12649155 0.89 PIP4K2A (0.49) PIP4K2AGPR119CYP2C9KCNH2CYP3A4
SCHEMBL12596599 0.88 PIP4K2A (0.46) PIP4K2AGPR119CYP2C9CYP3A4EGFR
SCHEMBL12395354 0.88 GPR119 (0.49) PIP4K2AGPR119EGFR
SCHEMBL12596827 0.88 CYP2C9 (0.51) GPR119CYP2C9CYP3A4EGFR
SCHEMBL12596610 0.88 PIP4K2A (0.44) PIP4K2AGPR119CYP2C9KCNH2CYP3A4
SCHEMBL12596607 0.87 PIP4K2A (0.44) PIP4K2AGPR119CYP2C9CYP3A4EGFR
SCHEMBL12596413 0.86 GPR119 (0.55) PIP4K2AGPR119
SCHEMBL12596559 0.86 PIP4K2A (0.44) PIP4K2AGPR119CYP2C9CYP3A4EGFR

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-20110118286-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS SCHERING CORPORATION 2011-05-19 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-20110118286-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS GPR119, GCGR, GPR35 PIP4K2A 2352/4885GPR119 1/4885CYP2C9 709/4885

“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.