SCHEMBL10171835

SCHEMBL10171835

CC(C)c1noc(N2CCC(n3cc(F)c4c(Nc5ccc(C(=O)N6CCOCC6)cc5F)ncnc43)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 2/20 0.42
TNKS O95271 1/20 0.41
GPR119 Q8TDV5 9/20 0.40
LRRK2 Q5S007 5/20 0.39
EGFR P00533 1/20 0.37
WDR5 P61964 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.36
NEK7 Q8TDX7 1/20 0.36

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
SCHEMBL10172164 0.94 GPR119 (0.40) PTK6GPR119KCNH2NEK7
SCHEMBL10171898 0.94 GPR119 (0.40) PTK6GPR119KCNH2NEK7
SCHEMBL10171977 0.91 GPR119 (0.40) GPR119LRRK2NEK7
SCHEMBL10171832 0.90 GPR119 (0.39) GPR119KCNH2NEK7
Hydrochloric Acid SCHEMBL356215 0.90 GPR119 (0.42) GPR119NEK7
SCHEMBL10171796 0.89 GPR119 (0.49) GPR119NEK7
SCHEMBL10171855 0.89 GPR119 (0.48) GPR119NEK7
SCHEMBL10171894 0.86 GPR119 (0.40) GPR119KCNH2NEK7
SCHEMBL10172649 0.85 GPR119 (0.42) GPR119KCNH2NEK7
SCHEMBL10171989 0.84 GPR119 (0.41) GPR119KCNH2NEK7

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 PTK6 2572/4885TNKS 3097/4885GPR119 1/4885

“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.