SCHEMBL10099168

SCHEMBL10099168

C[Si](C)(C)COCn1ccc2c(NC3CCN(Cc4ccccc4)C3)c(C#N)cnc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.43
JAK1 P23458 2/20 0.42
ROCK2 O75116 3/20 0.42
SCN9A Q15858 5/20 0.41
SCN5A Q14524 2/20 0.41
KCNH2 Q12809 1/20 0.41
BCHE P06276 2/20 0.40
BACE1 P56817 2/20 0.40
CHRM4 P08173 1/20 0.40
OPRK1 P41145 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
NSD2 O96028 1/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CXCR4 P61073 1/20 0.38
CCR2 P41597 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL566930 0.93 ACHE (0.41) ACHEJAK1ROCK2SCN9ASCN5A
SCHEMBL10099169 0.84 EGFR (0.39) ACHESCN9ASCN5AKCNH2CHRM4
SCHEMBL566439 0.79 JAK1 (0.43) ACHEJAK1ROCK2SCN9ASCN5A
SCHEMBL16477564 0.76 NSD2 (0.47) ACHEJAK1SCN9ASCN5AKCNH2
SCHEMBL22613451 0.75 KAT2B (0.42) JAK1ROCK2SCN9ASCN5AKCNH2
SCHEMBL22613453 0.75 KAT2B (0.42) JAK1ROCK2SCN9ASCN5AKCNH2
SCHEMBL566470 0.75 SCN9A (0.37) JAK1SCN9ASCN5AKCNH2JAK2
SCHEMBL565567 0.75 SCN9A (0.37) JAK1SCN9ASCN5AKCNH2JAK2
SCHEMBL10099187 0.74 JAK1 (0.42) JAK1ROCK2SCN9ASCN5AKCNH2
SCHEMBL14697195 0.74 SCN9A (0.42) JAK1ROCK2SCN9ASCN5AKCNH2

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 ACHE 4673/4885JAK1 2/4885ROCK2 1650/4885

“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.