SCHEMBL10172154

SCHEMBL10172154

CC(C)c1noc(N2CCC(n3cc(F)c4c(Nc5ccc(C#N)cc5F)ncnc43)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.41
NEK7 Q8TDX7 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
EGFR P00533 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 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
Hydrochloric Acid SCHEMBL356215 0.85 GPR119 (0.42) GPR119NEK7CYP3A4CYP2C19
SCHEMBL10171855 0.85 GPR119 (0.48) GPR119NEK7CYP3A4CYP2C19
SCHEMBL10171796 0.85 GPR119 (0.49) GPR119NEK7CYP3A4
SCHEMBL10171898 0.83 GPR119 (0.40) GPR119NEK7CYP3A4
SCHEMBL10172164 0.83 GPR119 (0.40) GPR119NEK7CYP3A4
SCHEMBL10171835 0.82 PTK6 (0.42) GPR119NEK7EGFR
SCHEMBL10171894 0.82 GPR119 (0.40) GPR119NEK7
SCHEMBL10171977 0.82 GPR119 (0.40) GPR119NEK7CYP3A4KDR
SCHEMBL10172649 0.81 GPR119 (0.42) GPR119NEK7
SCHEMBL10171832 0.81 GPR119 (0.39) GPR119NEK7CYP3A4KDR

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 1/4885NEK7 3219/4885CYP3A4 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.