SCHEMBL14736837

SCHEMBL14736837

CCc1cc(-c2nc(CC(N)=O)c(C)s2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.56
DBF4 Q9UBU7 3/20 0.56
SREBF2 Q12772 6/20 0.47
PDE10A Q9Y233 1/20 0.47
SREBF1 P36956 1/20 0.47
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
WNT3A P56704 1/20 0.38
MTOR P42345 1/20 0.38
GSK3B P49841 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 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
SCHEMBL1436189 0.82 CDC7 (0.52) CDC7DBF4SREBF2PDE10ASREBF1
SCHEMBL14736546 0.82 CDC7 (0.49) CDC7DBF4SREBF2PDE10ASREBF1
SCHEMBL6496072 0.81 CDC7 (0.57) CDC7DBF4SREBF2PDE10ASREBF1
SCHEMBL4919965 0.78 HPGD (0.53) CDC7DBF4POLBALDH1A1MAPT
SCHEMBL14736582 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTRAB9ANPC1
SCHEMBL14736938 0.77 CDC7 (0.51) CDC7DBF4SREBF2PDE10ASREBF1
SCHEMBL27875453 0.75 CDC7 (0.63) CDC7DBF4SREBF2SREBF1POLB
SCHEMBL14736212 0.74 CDC7 (0.47) CDC7DBF4SREBF2PDE10ASREBF1
SCHEMBL27942907 0.74 CDC7 (0.45) CDC7DBF4SREBF2PDE10ASREBF1
SCHEMBL22460196 0.74 SREBF2 (0.53) CDC7DBF4SREBF2SREBF1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP claimed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US claimed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO claimed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 US claimed
EP-2753604-B1 PDE10 MODULATORS HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US disclosed
WO-2013034506-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 WO disclosed
US-20130059833-A1 PDE10 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 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-20130059833-A1 PDE10 MODULATORS PDE10A, PDE5A, PDE2A CDC7 4367/4885DBF4 3966/4885SREBF2 4083/4885

“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.