SCHEMBL10099174

SCHEMBL10099174

C[C@@H]1[C@H](Nc2c(C#N)cnc3c2ccn3COCC[Si](C)(C)C)CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PREP P48147 8/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
PRCP P42785 1/20 0.35
CHRM4 P08173 1/20 0.35
DGAT1 O75907 1/20 0.34
IDH1 O75874 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 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
SCHEMBL10099185 0.89 TSHR (0.37) TSHRL3MBTL1PREPKDM4ELMNA
SCHEMBL10099320 0.78 PREP (0.39) TSHRL3MBTL1PREPDGAT1
SCHEMBL10099169 0.78 EGFR (0.39) CHRM4EGFRSRCKDRCHRM2
SCHEMBL566930 0.76 ACHE (0.41) CHRM4EGFRSRCKDRCHRM2
SCHEMBL10099173 0.75 JAK3 (0.45)
SCHEMBL10099171 0.74 EGFR (0.36) EGFRSRCKDR
SCHEMBL10099299 0.74 PRKCQ (0.38) SRC
SCHEMBL15209411 0.73 ADRA1D (0.39) TSHRL3MBTL1PREPKDM4ELMNA
SCHEMBL29855343 0.72 JAK3 (0.35) DGAT1
SCHEMBL22613061 0.72 JAK3 (0.35) DGAT1

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 TSHR 4026/4885L3MBTL1 4102/4885PREP 256/4885

“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.