SCHEMBL10171894

SCHEMBL10171894

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.40
NEK7 Q8TDX7 6/20 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
SCN9A Q15858 1/20 0.36
KCNH2 Q12809 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
SCHEMBL10171855 0.91 GPR119 (0.48) GPR119NEK7SCN9A
Hydrochloric Acid SCHEMBL356215 0.89 GPR119 (0.42) GPR119NEK7
SCHEMBL10172649 0.89 GPR119 (0.42) GPR119NEK7KCNH2
SCHEMBL10171796 0.88 GPR119 (0.49) GPR119NEK7
SCHEMBL10171989 0.88 GPR119 (0.41) GPR119NEK7KCNH2
SCHEMBL10172164 0.87 GPR119 (0.40) GPR119NEK7KCNH2
SCHEMBL10171898 0.87 GPR119 (0.40) GPR119NEK7KCNH2
SCHEMBL10171835 0.86 PTK6 (0.42) GPR119NEK7KCNH2
SCHEMBL10171977 0.85 GPR119 (0.40) GPR119NEK7
SCHEMBL10171832 0.84 GPR119 (0.39) GPR119NEK7KCNH2

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 3219/4885CCNT1 3369/4885

“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.