SCHEMBL10099299

SCHEMBL10099299

C[Si](C)(C)CCOCn1ccc2c(N[C@H]3CC[C@H](O)CC3)c(C#N)cnc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 9/20 0.38
PRKCD Q05655 8/20 0.36
JAK3 P52333 2/20 0.35
JAK2 O60674 1/20 0.35
MELK Q14680 2/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
SRC P12931 3/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
FYN P06241 1/20 0.32
CDK1 P06493 1/20 0.31

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
SCHEMBL10099306 0.84 MAPT (0.35) JAK3JAK1
SCHEMBL10099288 0.82 PDE5A (0.30)
SCHEMBL566930 0.81 ACHE (0.41) JAK1SRC
SCHEMBL21954829 0.81 DGAT1 (0.36)
SCHEMBL10099173 0.80 JAK3 (0.45) JAK3JAK2JAK1IRAK4
SCHEMBL31124391 0.79 SCN9A (0.39) IRAK4
SCHEMBL10099169 0.77 EGFR (0.39) SRC
SCHEMBL21858994 0.77 TBK1 (0.36)
SCHEMBL14697518 0.77 PDE4B (0.35) CDK1
SCHEMBL14697556 0.76 TBK1 (0.38) CDK1

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 PRKCQ 155/4885PRKCD 165/4885JAK3 3/4885

“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.