SCHEMBL9107009

SCHEMBL9107009

COc1cc(OCC2CC2)c(-c2ccnc3c(C(=O)NC4CCC(NC(=O)[C@H](C)OC)CC4)c(C)[nH]c23)cc1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.36
PDE4D Q08499 2/20 0.36
CDK9 P50750 7/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
CCNT1 O60563 5/20 0.35
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
DRD3 P35462 2/20 0.34
KCNH2 Q12809 1/20 0.33
AXL P30530 1/20 0.33
AR P10275 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL9107000 1.00 PDE4B (0.36) PDE4BPDE4DCDK9CASP3CASP7
SCHEMBL9106630 0.93 CDK9 (0.36) PDE4BPDE4DCDK9CASP3CASP7
SCHEMBL9106625 0.93 CDK9 (0.36) PDE4BPDE4DCDK9CASP3CASP7
SCHEMBL9102259 0.91 CDK9 (0.39) PDE4BPDE4DCDK9CASP3CASP7
SCHEMBL9106362 0.91 CDK9 (0.39) PDE4BPDE4DCDK9CASP3CASP7
SCHEMBL9102242 0.91 CDK9 (0.39) PDE4BPDE4DCDK9CASP3CASP7
SCHEMBL9101646 0.91 CDK9 (0.36) PDE4BPDE4DCDK9CASP3CASP7
SCHEMBL9101638 0.91 CDK9 (0.36) PDE4BPDE4DCDK9CASP3CASP7
SCHEMBL9106788 0.90 CDK9 (0.44) PDE4BPDE4DCDK9CASP3CASP7
SCHEMBL9104290 0.90 CDK9 (0.44) PDE4BPDE4DCDK9CASP3CASP7

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 PDE4B 7/4885PDE4D 10/4885CDK9 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.