SCHEMBL10172710

SCHEMBL10172710

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

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.40
NEK7 Q8TDX7 14/20 0.37
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ERBB2 P04626 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
Hydrochloric Acid SCHEMBL357354 0.99 GPR119 (0.40) GPR119NEK7CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL354316 0.93 GPR119 (0.41) GPR119NEK7CYP3A4CYP2C9ERBB2
SCHEMBL10171910 0.90 GPR119 (0.38) GPR119NEK7CYP3A4CYP2C9ERBB2
SCHEMBL10172701 0.90 GPR119 (0.37) GPR119NEK7CYP3A4CYP2C9
SCHEMBL10172176 0.90 GPR119 (0.37) GPR119NEK7CYP3A4CYP2C9
SCHEMBL10172010 0.88 GPR119 (0.42) GPR119NEK7ERBB2
SCHEMBL10172671 0.88 GPR119 (0.43) GPR119NEK7CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL355012 0.87 GPR119 (0.43) GPR119NEK7CYP3A4CYP2C9
SCHEMBL10171797 0.86 GPR119 (0.49) GPR119NEK7ERBB2
Hydrochloric Acid SCHEMBL354380 0.84 GPR119 (0.41) GPR119NEK7CYP3A4CYP2C9ERBB2

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 3219/4885CYP3A4 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.