SCHEMBL10172010

SCHEMBL10172010

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.42
NEK7 Q8TDX7 8/20 0.36
ERBB2 P04626 1/20 0.35
BRAF P15056 1/20 0.34
MKNK1 Q9BUB5 2/20 0.34
PIK3CB P42338 3/20 0.33
PIK3CA P42336 2/20 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
SCHEMBL355656 0.95 GPR119 (0.42) GPR119NEK7ERBB2BRAFMKNK1
SCHEMBL10172631 0.91 GPR119 (0.41) GPR119NEK7ERBB2BRAF
SCHEMBL10172695 0.90 GPR119 (0.45) GPR119NEK7ERBB2BRAF
SCHEMBL10172710 0.88 GPR119 (0.40) GPR119NEK7ERBB2
Hydrochloric Acid SCHEMBL357354 0.88 GPR119 (0.40) GPR119NEK7BRAF
SCHEMBL10171797 0.86 GPR119 (0.49) GPR119NEK7ERBB2BRAF
SCHEMBL10172692 0.86 GPR119 (0.41) GPR119NEK7ERBB2BRAFMKNK1
SCHEMBL10171910 0.86 GPR119 (0.38) GPR119NEK7ERBB2
SCHEMBL10172645 0.86 GPR119 (0.44) GPR119NEK7ERBB2BRAF
SCHEMBL10171912 0.86 GPR119 (0.41) GPR119NEK7ERBB2BRAFMKNK1

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 1/4885NEK7 3219/4885ERBB2 451/4885

“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.