SCHEMBL10099138

SCHEMBL10099138

C[Si](C)(C)CCOCn1ccc2c1ncc1ccn(C3CCCNC3)c12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
KDM1A O60341 1/20 0.31
HTR6 P50406 1/20 0.31
DGAT1 O75907 2/20 0.30
CCNT1 O60563 1/20 0.30
CDK7 P50613 1/20 0.30
CDK9 P50750 1/20 0.30
CCNH P51946 1/20 0.30
MNAT1 P51948 1/20 0.30
TYK2 P29597 2/20 0.30
JAK3 P52333 2/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL567231 0.89 DGAT1 (0.32) JAK2JAK1KDM1ADGAT1BRD4
SCHEMBL10099165 0.84 BRD4 (0.33) JAK2JAK1DGAT1JAK3BRD4
SCHEMBL565566 0.83 GRM2 (0.35) JAK2JAK1DGAT1JAK3
SCHEMBL566635 0.83 GRM2 (0.35) JAK2JAK1DGAT1JAK3
SCHEMBL10099319 0.81 DGAT1 (0.31) DGAT1
SCHEMBL10099290 0.81 JAK2 (0.33) JAK2JAK1DGAT1JAK3BRD4
SCHEMBL10099143 0.79 SCN9A (0.40) JAK2JAK1TYK2JAK3
SCHEMBL630837 0.79 MTOR (0.33) JAK2JAK1TYK2JAK3
SCHEMBL10099291 0.78 DGAT1 (0.32) DGAT1BRD4CREBBP
SCHEMBL10099139 0.78 SCN9A (0.42) JAK2JAK1TYK2JAK3

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 JAK2 1/4885JAK1 2/4885KDM1A 2349/4885

“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.