SCHEMBL2111090

SCHEMBL2111090

CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(C#N)ccnc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PIM1 P11309 1/20 0.34
CDK9 P50750 1/20 0.34
CDK2 P24941 1/20 0.33
PIK3CG P48736 1/20 0.33
HPGD P15428 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
XDH P47989 1/20 0.30
KDM4D Q6B0I6 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
SCHEMBL1888796 0.85
SCHEMBL29378763 0.78 PGR (0.38) KDM4EALDH1A1CDK2HPGDCLK4
SCHEMBL2105636 0.78 PGR (0.38) KDM4EALDH1A1CDK2HPGDCLK4
SCHEMBL15280118 0.78 CCR1 (0.38) KDM4E
SCHEMBL2794776 0.76
SCHEMBL794853 0.76 MGAM (0.34)
SCHEMBL29378331 0.76 ENPP3 (0.36) PIM1CDK9
SCHEMBL29660486 0.76
SCHEMBL29660466 0.76 MGAM (0.34)
SCHEMBL306515 0.76 ENPP3 (0.36) PIM1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158647-B2 Substituted pyrrolopyridines and pyrazolopyridines as kinase modulators SGX PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
EP-2056822-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-05-13 EP disclosed
US-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2009-01-01 US disclosed
WO-2008150914-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-12-11 WO 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-20090005356-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRAZOLOPYRIDINES AS KINASE MODULATORS PDXK, MAP3K4, PDPK1 ELANE 3096/4885KDM4E 1072/4885ALDH1A1 2177/4885

“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.