SCHEMBL10172176

SCHEMBL10172176

O=C(c1ccc(Nc2ncnc3c2c(F)cn3C2CCN(c3noc(C(F)F)n3)CC2)c(F)c1)N1CC[C@H](O)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
HDAC4 P56524 1/20 0.36
PTK6 Q13882 1/20 0.35
NEK7 Q8TDX7 7/20 0.35
LRRK2 Q5S007 2/20 0.35
TNKS O95271 1/20 0.35
TYK2 P29597 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
RAB9A P51151 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
SCHEMBL10172701 1.00 GPR119 (0.37) GPR119PDGFRBKDRHDAC4PTK6
SCHEMBL10171935 0.94 GPR119 (0.38) GPR119PDGFRBKDRHDAC4NEK7
SCHEMBL10171910 0.94 GPR119 (0.38) GPR119PTK6NEK7TNKSCYP3A4
SCHEMBL10172638 0.90 PDGFRB (0.39) GPR119PDGFRBKDRPTK6NEK7
SCHEMBL10172710 0.90 GPR119 (0.40) GPR119NEK7CYP3A4CYP2C9
SCHEMBL356206 0.89 HDAC4 (0.47) GPR119PDGFRBKDRHDAC4PTK6
SCHEMBL356205 0.89 HDAC4 (0.47) GPR119PDGFRBKDRHDAC4PTK6
SCHEMBL10172171 0.89 HDAC4 (0.47) GPR119PDGFRBKDRHDAC4PTK6
Hydrochloric Acid SCHEMBL357354 0.89 GPR119 (0.40) GPR119NEK7CYP3A4CYP2C9
SCHEMBL10171830 0.86 PDE4B (0.39) GPR119PDGFRBKDRPTK6LRRK2

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 1/4885PDGFRB 105/4885KDR 283/4885

“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.