SCHEMBL10172607

SCHEMBL10172607

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.42
LRRK2 Q5S007 2/20 0.38
ERBB2 P04626 1/20 0.36
BRAF P15056 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
HTR7 P34969 1/20 0.34

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
SCHEMBL357883 0.92 GPR119 (0.44) GPR119ERBB2CYP3A4CYP2C9
SCHEMBL354997 0.91 GPR119 (0.43) GPR119ERBB2CYP3A4CYP2C9
SCHEMBL356278 0.90 GPR119 (0.46) GPR119ERBB2CYP3A4CYP2C9
SCHEMBL10172163 0.89 GPR119 (0.43) GPR119ERBB2BRAFCYP3A4CYP2C9
SCHEMBL10172689 0.88 GPR119 (0.44) GPR119ERBB2CYP3A4CYP2C9
SCHEMBL357826 0.87 GPR119 (0.47) GPR119ERBB2CYP3A4CYP2C9
SCHEMBL10171879 0.87 GPR119 (0.51) GPR119ERBB2BRAFCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL356544 0.86 GPR119 (0.47) GPR119ERBB2CYP3A4CYP2C9
SCHEMBL10172166 0.86 GPR119 (0.47) GPR119ERBB2CYP3A4CYP2C9MKNK1
SCHEMBL10172699 0.86 GPR119 (0.40) GPR119ERBB2MKNK1

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 GPR119 1/4885LRRK2 2211/4885ERBB2 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.