SCHEMBL9103369

SCHEMBL9103369

CCOC(=O)c1c(C)[nH]c2c(-c3cc(F)ccc3OCC3CC3)ccnc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 17/20 0.46
CDK9 P50750 17/20 0.46
BRD4 O60885 1/20 0.42
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 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
SCHEMBL9106956 0.94 KDM5A (0.42) CCNT1CDK9KDM5AKDM4C
SCHEMBL9105094 0.91 KDM2B (0.43) CCNT1CDK9KDM4C
SCHEMBL9107121 0.88 LMNA (0.40) CCNT1CDK9
SCHEMBL9896634 0.87 CCNT1 (0.41) CCNT1CDK9BRD4KDM5AKDM4C
SCHEMBL9105395 0.87 CCNT1 (0.41) CCNT1CDK9KDM4C
SCHEMBL9104359 0.84 CDK9 (0.44) CCNT1CDK9BRD4GRIN1GRIN2B
SCHEMBL9108126 0.84 CDK9 (0.44) CCNT1CDK9BRD4GRIN1GRIN2B
SCHEMBL9104336 0.84 CDK9 (0.44) CCNT1CDK9BRD4GRIN1GRIN2B
SCHEMBL9108953 0.83 GRIN1 (0.41) CCNT1CDK9BRD4GRIN1GRIN2B
SCHEMBL9106807 0.83 GRIN1 (0.41) CCNT1CDK9BRD4GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCNT1 1888/4885CDK9 1048/4885BRD4 465/4885

“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.