SCHEMBL567231

SCHEMBL567231

C[Si](C)(C)CCOCn1ccc2c1ncc1ccn(C3CCNCC3)c12

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.32
KDM1A O60341 4/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
CTSS P25774 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
MAPK14 Q16539 1/20 0.31
PIM1 P11309 1/20 0.31
TTK P33981 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 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
SCHEMBL10099138 0.89 JAK2 (0.33) DGAT1KDM1ABRD4CREBBPJAK2
SCHEMBL566635 0.88 GRM2 (0.35) DGAT1JAK2JAK1MAPK14
SCHEMBL565566 0.88 GRM2 (0.35) DGAT1JAK2JAK1MAPK14
SCHEMBL14697182 0.88 JAK2 (0.35) DGAT1KDM1ABRD4CREBBPJAK2
SCHEMBL10099319 0.85 DGAT1 (0.31) DGAT1
SCHEMBL10099290 0.84 JAK2 (0.33) DGAT1BRD4CREBBPJAK2JAK1
SCHEMBL630837 0.83 MTOR (0.33) CTSSJAK2JAK1MTOR
SCHEMBL10099165 0.83 BRD4 (0.33) DGAT1BRD4CREBBPJAK2JAK1
SCHEMBL10099139 0.83 SCN9A (0.42) JAK2JAK1
SCHEMBL10099291 0.81 DGAT1 (0.32) DGAT1BRD4CREBBP

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 3 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
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 4419/4885KDM1A 2349/4885BRD4 225/4885

“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.