SCHEMBL354254

SCHEMBL354254

O=C(c1ccc(Nc2ncnc3c2c(F)cn3C2CCN(c3noc(C(F)(F)F)n3)C(I)C2)c(F)c1)N1CCC(O)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.45
GPR119 Q8TDV5 4/20 0.35
NEK7 Q8TDX7 8/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
LRRK2 Q5S007 2/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
PTK6 Q13882 1/20 0.32
ERBB2 P04626 1/20 0.32

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
SCHEMBL356205 0.90 HDAC4 (0.47) HDAC4GPR119NEK7CYP3A4CYP2C9
SCHEMBL10172171 0.90 HDAC4 (0.47) HDAC4GPR119NEK7CYP3A4CYP2C9
SCHEMBL356206 0.90 HDAC4 (0.47) HDAC4GPR119NEK7CYP3A4CYP2C9
SCHEMBL10172175 0.86 HDAC4 (0.43) HDAC4GPR119NEK7CYP3A4CYP2C9
SCHEMBL10171849 0.84 GPR119 (0.40) HDAC4GPR119NEK7CYP3A4CYP2C9
SCHEMBL10171900 0.83 HDAC4 (0.42) HDAC4GPR119NEK7LRRK2PTK6
SCHEMBL10172701 0.80 GPR119 (0.37) HDAC4GPR119NEK7CYP3A4CYP2C9
SCHEMBL10172176 0.80 GPR119 (0.37) HDAC4GPR119NEK7CYP3A4CYP2C9
SCHEMBL10172671 0.80 GPR119 (0.43) GPR119NEK7CYP3A4CYP2C9
SCHEMBL10172654 0.79 CYP3A4 (0.38) HDAC4GPR119NEK7CYP3A4CYP2C9

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 1/4885NEK7 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.