SCHEMBL9106956

SCHEMBL9106956

CCOC(=O)c1c(C)[nH]c2c(-c3ccc(F)cc3OCC3CC3)ccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.42
KDM4C Q9H3R0 2/20 0.42
CDK9 P50750 12/20 0.41
CCNT1 O60563 7/20 0.41
CDK1 P06493 2/20 0.38
CDK2 P24941 1/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CASP3 P42574 3/20 0.37
CASP7 P55210 3/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM2B Q8NHM5 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL9103369 0.94 CCNT1 (0.46) KDM5AKDM4CCDK9CCNT1
SCHEMBL9101829 0.89 MAPT (0.38) MEN1KMT2AHPGDMAPK1NPSR1
SCHEMBL9105395 0.88 CCNT1 (0.41) KDM4CCDK9CCNT1LMNA
SCHEMBL9896342 0.87 KDM5A (0.40) KDM5AKDM4CCDK9CCNT1TSHR
SCHEMBL9105094 0.86 KDM2B (0.43) KDM4CCDK9CCNT1MEN1KMT2A
SCHEMBL9107121 0.84 LMNA (0.40) CDK9CCNT1MEN1KMT2AHPGD
SCHEMBL9106061 0.83 CDK9 (0.43) KDM5AKDM4CCDK9CCNT1CDK1
SCHEMBL9107702 0.83 CDK9 (0.43) KDM5AKDM4CCDK9CCNT1CDK1
SCHEMBL9106078 0.83 CDK9 (0.43) KDM5AKDM4CCDK9CCNT1CDK1
SCHEMBL9105958 0.83 CDK9 (0.41) KDM5AKDM4CCDK9CCNT1CDK1

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 KDM5A 65/4885KDM4C 134/4885CDK9 1048/4885

“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.