SCHEMBL10139832

SCHEMBL10139832

CC(C)c1nc(N2CCC(n3cc(F)c4c(Oc5ccc(C(=O)N(C)C)cc5F)ncnc43)CC2)no1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.45
GPR6 P46095 8/20 0.37
NEK7 Q8TDX7 2/20 0.32
SCN9A Q15858 1/20 0.32
ERBB2 P04626 1/20 0.31
KDR P35968 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
SCHEMBL10139811 0.87 GPR119 (0.45) GPR119GPR6
SCHEMBL10139979 0.87 GPR119 (0.47) GPR119GPR6SCN9AERBB2
SCHEMBL10139826 0.85 GPR119 (0.42) GPR119
SCHEMBL10171797 0.85 GPR119 (0.49) GPR119NEK7ERBB2
SCHEMBL10139852 0.83 GPR119 (0.42) GPR119GPR6NEK7
SCHEMBL10171837 0.82 GPR119 (0.43) GPR119NEK7ERBB2
SCHEMBL10139814 0.81 GPR119 (0.39) GPR119
SCHEMBL10139791 0.78 GPR119 (0.47) GPR119
SCHEMBL355656 0.77 GPR119 (0.42) GPR119NEK7ERBB2
Hydrochloric Acid SCHEMBL354316 0.77 GPR119 (0.41) GPR119NEK7ERBB2

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 2 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

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 1/4885GPR6 34/4885NEK7 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.