SCHEMBL9107048

SCHEMBL9107048

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
HPGDS O60760 2/20 0.37
CDK9 P50750 4/20 0.36
CCNT1 O60563 3/20 0.36
TSHR P16473 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CCNE1 P24864 3/20 0.35
CDK2 P24941 3/20 0.35
CASP3 P42574 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
SCHEMBL9106837 0.94 KMT2A (0.39) NOS3NOS1NOS2HPGDSCDK9
SCHEMBL9101891 0.94 HPGDS (0.44) NOS3NOS1NOS2HPGDSCDK9
SCHEMBL9104405 0.93 CCNT1 (0.43) NOS3NOS1NOS2HPGDSCDK9
SCHEMBL9106167 0.93 EPHX2 (0.42) NOS3NOS1NOS2HPGDSCDK9
SCHEMBL9106720 0.92 CCNT1 (0.38) NOS3NOS1NOS2HPGDSCDK9
SCHEMBL9104889 0.91 GRIN1 (0.38) HPGDSCDK9CCNT1GRIN1GRIN2B
SCHEMBL9104910 0.91 GRIN1 (0.38) HPGDSCDK9CCNT1GRIN1GRIN2B
SCHEMBL9104922 0.91 GRIN1 (0.38) HPGDSCDK9CCNT1GRIN1GRIN2B
SCHEMBL9107545 0.91 NOS3 (0.36) NOS3NOS1NOS2HPGDSCDK9
SCHEMBL9107145 0.91 SLC2A1 (0.41) NOS3NOS1NOS2KMT2AALDH1A1

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.