SCHEMBL9101670

SCHEMBL9101670

COCC(=O)NC1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(OC)ccc4OCC4CC4)ccnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA2 P47869 3/20 0.38
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CRHR1 P34998 1/20 0.36
CRHR2 Q13324 1/20 0.36
ROCK2 O75116 1/20 0.36
MELK Q14680 1/20 0.36
AURKA O14965 1/20 0.36
MET P08581 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL9101665 1.00 KDM4E (0.39) KDM4EGABRG2GABRB3GABRA2GRIN1
SCHEMBL9106138 1.00 KDM4E (0.39) KDM4EGABRG2GABRB3GABRA2GRIN1
SCHEMBL9106281 0.94 KDM4E (0.40) KDM4EGRIN1GRIN2BCRHR1CRHR2
SCHEMBL1437383 0.94 KDM4E (0.40) KDM4EGRIN1GRIN2BCRHR1CRHR2
SCHEMBL1437379 0.94 KDM4E (0.40) KDM4EGRIN1GRIN2BCRHR1CRHR2
SCHEMBL9103941 0.93 GABRG2 (0.38) KDM4EGABRG2GABRB3GABRA2GRIN1
SCHEMBL9107615 0.93 GABRG2 (0.38) KDM4EGABRG2GABRB3GABRA2GRIN1
SCHEMBL9105541 0.93 CCNT1 (0.39) KDM4EGABRG2GABRB3GABRA2GRIN1
SCHEMBL9104280 0.93 CCNT1 (0.39) KDM4EGABRG2GABRB3GABRA2GRIN1
SCHEMBL9103949 0.93 GABRG2 (0.38) KDM4EGABRG2GABRB3GABRA2GRIN1

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-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US claimed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US claimed
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 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-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A KDM4E 262/4885GABRG2 3147/4885GABRB3 1909/4885

“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.