SCHEMBL630837

SCHEMBL630837

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.33
JAK1 P23458 5/20 0.33
JAK2 O60674 4/20 0.33
JAK3 P52333 3/20 0.33
FKBP1A P62942 1/20 0.32
FKBP1B P68106 1/20 0.32
PRKDC P78527 1/20 0.32
ATM Q13315 1/20 0.32
TYK2 P29597 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL10099139 0.85 SCN9A (0.42) JAK1JAK2JAK3TYK2
SCHEMBL574992 0.84 JAK2 (0.32) JAK1JAK2JAK3
SCHEMBL567231 0.83 DGAT1 (0.32) MTORJAK1JAK2CTSS
SCHEMBL565566 0.83 GRM2 (0.35) JAK1JAK2JAK3
SCHEMBL566635 0.83 GRM2 (0.35) JAK1JAK2JAK3
SCHEMBL10099301 0.83 DGAT1 (0.37)
SCHEMBL10099143 0.82 SCN9A (0.40) JAK1JAK2JAK3TYK2
SCHEMBL16477593 0.80 JAK1 (0.42) MTORJAK1JAK2JAK3FKBP1A
SCHEMBL10099319 0.80 DGAT1 (0.31)
SCHEMBL10099138 0.79 JAK2 (0.33) JAK1JAK2JAK3TYK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420502-A1 FUSED PYRROLOPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-02-22 EP disclosed
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 MTOR 245/4885JAK1 2/4885JAK2 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.