SCHEMBL10171891

SCHEMBL10171891

CN(C)C(=O)c1ccc(Nc2ncnc3c2c(F)cn3C2CCN(c3ccc(F)cn3)CC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.46
GPR119 Q8TDV5 6/20 0.46
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
CDK4 P11802 1/20 0.37
CCND3 P30281 1/20 0.37
GPR6 P46095 1/20 0.36
WDR5 P61964 2/20 0.36
KMT2A Q03164 2/20 0.36
BRAF P15056 1/20 0.36
PARP1 P09874 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
MAPK14 Q16539 1/20 0.34

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
SCHEMBL10171804 0.93 GPR119 (0.47) ERBB2GPR119CYP3A4CYP2C9HRH3
SCHEMBL10172681 0.92 GPR119 (0.45) ERBB2GPR119CYP3A4CYP2C9HRH3
SCHEMBL10171844 0.91 GPR119 (0.47) ERBB2GPR119CYP3A4CYP2C9KMT2A
SCHEMBL10172608 0.91 GPR119 (0.44) ERBB2GPR119CYP3A4CYP2C9HRH3
SCHEMBL10172629 0.91 GPR119 (0.44) ERBB2GPR119CYP3A4CYP2C9HRH3
SCHEMBL10172682 0.91 ERBB2 (0.47) ERBB2GPR119CYP3A4CYP2C9CCNT1
SCHEMBL356735 0.89 GPR119 (0.43) ERBB2GPR119CYP3A4CYP2C9HRH3
SCHEMBL10171903 0.87 GPR119 (0.48) ERBB2GPR119CYP3A4CYP2C9CCNT1
SCHEMBL10172612 0.86 GPR119 (0.48) ERBB2GPR119CYP3A4CYP2C9CCNT1
SCHEMBL10172615 0.86 GPR119 (0.46) ERBB2GPR119CYP3A4CYP2C9CCNT1

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 451/4885GPR119 1/4885CYP3A4 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.