SCHEMBL356855

SCHEMBL356855

Fc1cn(C2CCN(c3noc(C(F)(F)F)n3)CC2)c2ncnc(Cl)c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.39
HDAC1 Q13547 7/20 0.39
HDAC4 P56524 3/20 0.39
SLC6A9 P48067 2/20 0.33
NEK7 Q8TDX7 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
KCNH2 Q12809 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
RET P07949 3/20 0.31
HDAC5 Q9UQL6 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31

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
SCHEMBL10140674 0.86 ADK (0.34) NEK7RET
SCHEMBL356763 0.84 SLC6A9 (0.33) SLC6A9NEK7GPR119RET
SCHEMBL369095 0.83 GPR119 (0.32) NEK7KCNH2GPR119RET
SCHEMBL355735 0.81 GPR119 (0.40) SLC6A9GPR119
SCHEMBL10140747 0.80 MALT1 (0.37) KCNH2
SCHEMBL354783 0.79 RIPK2 (0.35) GPR119RET
SCHEMBL358364 0.79 GPR119 (0.36) KCNH2GPR119RET
SCHEMBL369097 0.77 GPR119 (0.40) NEK7GPR119RET
SCHEMBL357038 0.77 RIPK2 (0.38) KCNH2GPR119RET
SCHEMBL356834 0.77 RIPK2 (0.32) KCNH2GPR119RET

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 4 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
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 HDAC6 2235/4885HDAC1 1315/4885HDAC4 2551/4885

“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.