SCHEMBL9105873

SCHEMBL9105873

CCOC(=O)c1c(C)[nH]c2c(Cl)ccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
ALOX5 P09917 2/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RXFP1 Q9HBX9 2/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL10196710 0.85 ALDH1A1 (0.52) MAPTALDH1A1KMT2AGAAALOX5
SCHEMBL27157767 0.84 ALDH1A1 (0.50) MAPTALDH1A1KMT2AGAAALOX5
SCHEMBL29913008 0.84 ALDH1A1 (0.50) MAPTALDH1A1KMT2AGAAALOX5
SCHEMBL12817477 0.81 KDM5A (0.44) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL9896238 0.80 HPGD (0.44) MAPTALDH1A1KMT2AGAAALOX5
SCHEMBL1763382 0.79 KDM5A (0.39) MAPTGAALMNA
SCHEMBL9107544 0.78 GAA (0.41) MAPTALDH1A1KMT2AGAAALOX5
SCHEMBL13959456 0.76 HPGD (0.49) MAPTALDH1A1KMT2AGAARAB9A
SCHEMBL8840548 0.75 PDE4B (0.48) MAPTALDH1A1GAACYP1A2RAB9A
SCHEMBL31151022 0.75 PDE4B (0.48) MAPTALDH1A1GAACYP1A2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
US-8816085-B2 Methylpyrrolopyridinecarboxamides TAKEDA GMBH (DE) 2014-08-26 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US disclosed
US-20120142633-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-07 US disclosed
WO-2011023696-A1 METHYLPYRROLOPYRIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-03-03 WO 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 MAPT 4614/4885ALDH1A1 1112/4885KMT2A 1463/4885

“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.