SCHEMBL10171852

SCHEMBL10171852

CN(C)C(=O)c1ccc(Nc2ncnc3c2c(F)cn3C2CCN(c3noc(C(F)(F)F)n3)CC2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.53
ERBB2 P04626 1/20 0.42
BRAF P15056 4/20 0.40
HDAC4 P56524 2/20 0.38
NEK7 Q8TDX7 6/20 0.38
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL10172671 0.92 GPR119 (0.43) GPR119BRAFNEK7CYP3A4CYP2C9
SCHEMBL10172703 0.92 GPR119 (0.46) GPR119ERBB2BRAFHDAC4NEK7
SCHEMBL10172695 0.92 GPR119 (0.45) GPR119ERBB2BRAFHDAC4NEK7
Hydrochloric Acid SCHEMBL355012 0.91 GPR119 (0.43) GPR119BRAFNEK7CYP3A4CYP2C9
SCHEMBL10172645 0.91 GPR119 (0.44) GPR119ERBB2BRAFHDAC4NEK7
SCHEMBL356723 0.90 GPR119 (0.45) GPR119BRAFHDAC4NEK7CYP3A4
SCHEMBL10172009 0.90 GPR119 (0.51) GPR119ERBB2BRAFNEK7CYP3A4
SCHEMBL10171900 0.89 HDAC4 (0.42) GPR119ERBB2BRAFHDAC4NEK7
SCHEMBL10171921 0.89 GPR119 (0.49) GPR119ERBB2BRAFNEK7CYP3A4
SCHEMBL10171797 0.89 GPR119 (0.49) GPR119ERBB2BRAFNEK7

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 1/4885ERBB2 451/4885BRAF 2824/4885

“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.