SCHEMBL9105094

SCHEMBL9105094

CCOC(=O)c1c(C)[nH]c2c(-c3cc(C)ccc3OCC3CC3)ccnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
CCNT1 O60563 3/20 0.37
CDK9 P50750 3/20 0.37
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36

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 0.91 CCNT1 (0.46) KDM4CCCNT1CDK9
SCHEMBL9107121 0.90 LMNA (0.40) CCNT1CDK9MAPTALDH1A1GAA
SCHEMBL9898779 0.87 KDM2B (0.41) KDM2BKDM4CMAPTALDH1A1GAA
SCHEMBL9106956 0.86 KDM5A (0.42) KDM2BKDM4CCCNT1CDK9MAPT
SCHEMBL9105395 0.85 CCNT1 (0.41) KDM4CCCNT1CDK9LMNAL3MBTL1
SCHEMBL9101829 0.84 MAPT (0.38) MAPTALDH1A1GAAKMT2AMEN1
SCHEMBL9102558 0.83 KDM2B (0.42) KDM2BKDM4CCCNT1CDK9ALDH1A1
SCHEMBL9102581 0.83 KDM2B (0.42) KDM2BKDM4CCCNT1CDK9ALDH1A1
SCHEMBL9106860 0.83 KDM2B (0.42) KDM2BKDM4CCCNT1CDK9ALDH1A1
SCHEMBL9104459 0.83 KDM2B (0.39) KDM2BKDM4CCCNT1CDK9MAPT

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 KDM2B 274/4885KDM4C 134/4885CCNT1 1888/4885

“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.