SCHEMBL10172703

SCHEMBL10172703

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.46
BRAF P15056 7/20 0.39
NEK7 Q8TDX7 6/20 0.36
ERBB2 P04626 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HDAC4 P56524 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
SCHEMBL10172695 0.92 GPR119 (0.45) GPR119BRAFNEK7ERBB2HDAC4
SCHEMBL10171852 0.92 GPR119 (0.53) GPR119BRAFNEK7ERBB2CYP3A4
SCHEMBL10172645 0.91 GPR119 (0.44) GPR119BRAFNEK7ERBB2HDAC4
SCHEMBL10172671 0.88 GPR119 (0.43) GPR119BRAFNEK7CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL355012 0.88 GPR119 (0.43) GPR119BRAFNEK7CYP3A4CYP2C9
SCHEMBL356723 0.87 GPR119 (0.45) GPR119BRAFNEK7CYP3A4CYP2C9
SCHEMBL10171900 0.86 HDAC4 (0.42) GPR119BRAFNEK7ERBB2HDAC4
SCHEMBL10172163 0.85 GPR119 (0.43) GPR119BRAFERBB2CYP3A4CYP2C9
SCHEMBL10171849 0.85 GPR119 (0.40) GPR119BRAFNEK7ERBB2CYP3A4
SCHEMBL356205 0.84 HDAC4 (0.47) GPR119BRAFNEK7CYP3A4CYP2C9

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 1/4885BRAF 2824/4885NEK7 3219/4885

“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.