SCHEMBL10171812

SCHEMBL10171812

CN(C)C(=O)c1ccc(Nc2ncnc3c2c(F)cn3C2CCN(C(=O)OC(CF)CF)CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.45
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 1/20 0.42
GPR119 Q8TDV5 17/20 0.41
CCNT1 O60563 1/20 0.36
CDK4 P11802 1/20 0.36
CCND3 P30281 1/20 0.36
CDK9 P50750 1/20 0.36

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
SCHEMBL357418 0.94 ERBB2 (0.45) ERBB2CYP2C9CYP3A4GPR119CCNT1
SCHEMBL355058 0.92 GPR119 (0.48) ERBB2CYP2C9CYP3A4GPR119
SCHEMBL356179 0.87 CYP3A4 (0.56) ERBB2CYP2C9CYP3A4GPR119
SCHEMBL10171992 0.85 GPR119 (0.43) ERBB2CYP2C9CYP3A4GPR119
SCHEMBL10172170 0.85 GPR119 (0.45) ERBB2CYP2C9CYP3A4GPR119
SCHEMBL355091 0.84 ERBB2 (0.48) ERBB2CYP2C9CYP3A4GPR119CCNT1
SCHEMBL10172675 0.84 CYP3A4 (0.48) ERBB2CYP2C9CYP3A4GPR119
SCHEMBL10171944 0.84 GPR119 (0.49) CYP2C9CYP3A4GPR119
SCHEMBL10171823 0.83 GPR119 (0.44) ERBB2CYP2C9CYP3A4GPR119
Hydrochloric Acid SCHEMBL368931 0.83 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-19 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-20120016119-A1 NOVEL PYRROLO(2,3-d)PYRIMIDINE COMPOUND GPR119, GPR139, HCAR1 ERBB2 451/4885CYP2C9 1147/4885CYP3A4 2136/4885

“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.