SCHEMBL356278

SCHEMBL356278

CCc1cnc(N2CCC(n3cc(F)c4c(Nc5ccc(C(=O)N(C)C)cc5F)ncnc43)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.46
ERBB2 P04626 1/20 0.44
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SCN9A Q15858 1/20 0.37
CCNT1 O60563 1/20 0.36
CDK4 P11802 1/20 0.36
CCND3 P30281 1/20 0.36
CDK9 P50750 1/20 0.36
WDR5 P61964 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL10171818 0.94 GPR119 (0.53) GPR119ERBB2CYP3A4CYP2C9SCN9A
SCHEMBL356676 0.93 GPR119 (0.42) GPR119ERBB2SCN9AWDR5KMT2A
SCHEMBL10172145 0.93 GPR119 (0.45) GPR119ERBB2CYP3A4CYP2C9SCN9A
SCHEMBL357826 0.92 GPR119 (0.47) GPR119ERBB2CYP3A4CYP2C9
SCHEMBL10172682 0.92 ERBB2 (0.47) GPR119ERBB2CYP3A4CYP2C9CCNT1
SCHEMBL10172647 0.92 GPR119 (0.48) GPR119ERBB2CYP3A4CYP2C9SCN9A
SCHEMBL357883 0.92 GPR119 (0.44) GPR119ERBB2CYP3A4CYP2C9CCNT1
Hydrochloric Acid SCHEMBL356544 0.92 GPR119 (0.47) GPR119ERBB2CYP3A4CYP2C9
SCHEMBL10172166 0.92 GPR119 (0.47) GPR119ERBB2CYP3A4CYP2C9
SCHEMBL10171903 0.92 GPR119 (0.48) GPR119ERBB2CYP3A4CYP2C9CCNT1

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 6 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 claimed
EP-2390254-A1 NOVEL PYRROLOÝ2,3-d¨PYRIMIDINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2011-11-30 EP claimed
US-20110257678-A1 VASCULAR EMBOLIC FILTER EXCHANGE DEVICES AND METHODS OF USE THEREOF INCEPT LLC (US) 2011-10-20 US claimed
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 1/4885ERBB2 451/4885CYP3A4 2136/4885

“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.