SCHEMBL10172175

SCHEMBL10172175

O=C(c1ccc(Nc2ncnc3c2c(F)cn3C2CCN(c3noc(C(F)(F)F)n3)CC2)c(F)c1)N1CCC[C@@H](O)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.43
GPR119 Q8TDV5 3/20 0.39
ERBB2 P04626 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
NEK7 Q8TDX7 7/20 0.36
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
BRAF P15056 2/20 0.34
PTK6 Q13882 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 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
SCHEMBL10172171 0.96 HDAC4 (0.47) HDAC4GPR119NEK7PDGFRBKDR
SCHEMBL356206 0.96 HDAC4 (0.47) HDAC4GPR119NEK7PDGFRBKDR
SCHEMBL356205 0.96 HDAC4 (0.47) HDAC4GPR119NEK7PDGFRBKDR
SCHEMBL10171900 0.94 HDAC4 (0.42) HDAC4GPR119ERBB2HDAC6NEK7
SCHEMBL10171849 0.93 GPR119 (0.40) HDAC4GPR119ERBB2HDAC6NEK7
SCHEMBL10172638 0.89 PDGFRB (0.39) GPR119ERBB2NEK7PDGFRBKDR
SCHEMBL10172671 0.88 GPR119 (0.43) GPR119NEK7BRAFCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL355012 0.88 GPR119 (0.43) GPR119NEK7BRAFCYP3A4CYP2C9
SCHEMBL354254 0.86 HDAC4 (0.45) HDAC4GPR119ERBB2NEK7PDGFRB
SCHEMBL10171852 0.86 GPR119 (0.53) HDAC4GPR119ERBB2NEK7BRAF

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 HDAC4 2551/4885GPR119 1/4885ERBB2 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.