SCHEMBL9107545

SCHEMBL9107545

COc1ccc(-c2ccnc3c(C(=O)NC4CCN(C(=O)[C@H](C)O)CC4)c(C)[nH]c23)c(OCC2CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
HPGDS O60760 2/20 0.36
KDM5A P29375 1/20 0.35
SLC2A1 P11166 4/20 0.35
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PAK1 Q13153 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9102587 0.94 L3MBTL1 (0.36) NOS3NOS1NOS2HPGDSKDM5A
SCHEMBL9104942 0.91 CDK9 (0.39) KDM5ACDK2CCNT1CDK9KMT2A
SCHEMBL9107048 0.91 NOS3 (0.38) NOS3NOS1NOS2HPGDSSLC2A1
SCHEMBL9101891 0.91 HPGDS (0.44) NOS3NOS1NOS2HPGDSCCNE1
SCHEMBL9104405 0.90 CCNT1 (0.43) NOS3NOS1NOS2HPGDSMAPT
SCHEMBL9106167 0.90 EPHX2 (0.42) NOS3NOS1NOS2HPGDSMAPT
SCHEMBL9105966 0.90 ACACB (0.37) HPGDSKDM5ACDK2MAPTGRIN1
SCHEMBL9103593 0.90 ACACB (0.37) HPGDSKDM5ACDK2MAPTGRIN1
SCHEMBL9103580 0.90 ACACB (0.37) HPGDSKDM5ACDK2MAPTGRIN1
SCHEMBL9896566 0.89 PAK1 (0.37) NOS3NOS1NOS2HPGDSKDM5A

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 NOS3 306/4885NOS1 866/4885NOS2 697/4885

“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.