SCHEMBL356723

SCHEMBL356723

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.45
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HDAC6 Q9UBN7 4/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
BRAF P15056 2/20 0.38
HDAC4 P56524 3/20 0.37
NEK7 Q8TDX7 3/20 0.37
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL10172671 0.90 GPR119 (0.43) GPR119CYP3A4CYP2C9BRAFNEK7
SCHEMBL10171852 0.90 GPR119 (0.53) GPR119CYP3A4CYP2C9BRAFHDAC4
Hydrochloric Acid SCHEMBL355012 0.89 GPR119 (0.43) GPR119CYP3A4CYP2C9BRAFNEK7
SCHEMBL10171900 0.88 HDAC4 (0.42) GPR119HDAC6HDAC8BRAFHDAC4
SCHEMBL10172703 0.87 GPR119 (0.46) GPR119CYP3A4CYP2C9BRAFHDAC4
SCHEMBL10171849 0.86 GPR119 (0.40) GPR119CYP3A4CYP2C9HDAC6BRAF
SCHEMBL10172695 0.86 GPR119 (0.45) GPR119HDAC6HDAC8BRAFHDAC4
SCHEMBL356206 0.86 HDAC4 (0.47) GPR119CYP3A4CYP2C9BRAFHDAC4
SCHEMBL10172171 0.86 HDAC4 (0.47) GPR119CYP3A4CYP2C9BRAFHDAC4
SCHEMBL356205 0.86 HDAC4 (0.47) GPR119CYP3A4CYP2C9BRAFHDAC4

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 3 patents. 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
EP-2390254-A1 NOVEL PYRROLOÝ2,3-d¨PYRIMIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2011-11-30 EP disclosed
US-20110257678-A1 VASCULAR EMBOLIC FILTER EXCHANGE DEVICES AND METHODS OF USE THEREOF INCEPT LLC (US) 2011-10-20 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 1/4885CYP3A4 2136/4885CYP2C9 1147/4885

“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.