SCHEMBL10171843

SCHEMBL10171843

CCCc1noc(N2CCC(n3cc(F)c4c(Nc5ccc(C(=O)N(C)CCO)cc5F)ncnc43)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.42
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ERBB2 P04626 1/20 0.35
MKNK1 Q9BUB5 3/20 0.34
NEK7 Q8TDX7 6/20 0.34
SCN9A Q15858 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK4 P11802 1/20 0.33
CCND3 P30281 1/20 0.33
CDK9 P50750 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
SCHEMBL10171845 0.96 GPR119 (0.41) GPR119CYP3A4CYP2C9ERBB2MKNK1
SCHEMBL10171960 0.93 GPR119 (0.48) GPR119CYP3A4CYP2C9ERBB2NEK7
Hydrochloric Acid SCHEMBL357737 0.89 GPR119 (0.40) GPR119CYP3A4CYP2C9ERBB2NEK7
SCHEMBL10172649 0.89 GPR119 (0.42) GPR119ERBB2MKNK1NEK7
SCHEMBL10172016 0.89 GPR119 (0.47) GPR119CYP3A4CYP2C9ERBB2NEK7
SCHEMBL10172613 0.87 GPR119 (0.39) GPR119CYP3A4CYP2C9ERBB2NEK7
SCHEMBL10171922 0.87 GPR119 (0.49) GPR119CYP3A4CYP2C9ERBB2NEK7
SCHEMBL10172614 0.87 GPR119 (0.42) GPR119CYP3A4CYP2C9ERBB2MKNK1
SCHEMBL10172168 0.86 CYP3A4 (0.38) GPR119CYP3A4CYP2C9ERBB2NEK7
SCHEMBL10171997 0.85 GPR119 (0.47) GPR119CYP3A4CYP2C9ERBB2NEK7

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 GPR119 1/4885CYP3A4 2136/4885CYP2C9 1147/4885

“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.