SCHEMBL10099301

SCHEMBL10099301

C[Si](C)(C)CCOCn1ccc2c1ncc1ccn(C3CCN(c4ccc(C#N)cn4)CC3)c12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.37
SMO Q99835 4/20 0.36
HRH3 Q9Y5N1 2/20 0.36
GPR119 Q8TDV5 1/20 0.35
DPP4 P27487 2/20 0.33
MEN1 O00255 1/20 0.33
TIPARP Q7Z3E1 1/20 0.33
KDM1A O60341 1/20 0.33
RET P07949 1/20 0.33
PANK3 Q9H999 1/20 0.33
CHRM4 P08173 1/20 0.32

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
SCHEMBL630837 0.83 MTOR (0.33)
SCHEMBL567231 0.81 DGAT1 (0.32) DGAT1KDM1A
SCHEMBL565566 0.79 GRM2 (0.35) DGAT1
SCHEMBL566635 0.79 GRM2 (0.35) DGAT1
SCHEMBL10099139 0.78 SCN9A (0.42)
SCHEMBL16477561 0.77 JAK2 (0.43) HRH3MEN1CHRM4
SCHEMBL10099138 0.76 JAK2 (0.33) DGAT1KDM1A
SCHEMBL10099319 0.76 DGAT1 (0.31) DGAT1
SCHEMBL10099143 0.75 SCN9A (0.40)
SCHEMBL574992 0.75 JAK2 (0.32)

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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE JAK2, JAK1, JAK3 DGAT1 4419/4885SMO 2510/4885HRH3 1691/4885

“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.