SCHEMBL14736902

SCHEMBL14736902

NC(=O)Cc1nc(-c2ccccc2)nn1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.46
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.40
KMT2A Q03164 2/20 0.40
F2 P00734 2/20 0.40
FLT3 P36888 2/20 0.40
PLK4 O00444 1/20 0.40
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
INSR P06213 1/20 0.40
ROS1 P08922 1/20 0.40
PIM1 P11309 1/20 0.40
PHKG2 P15735 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AKT1 P31749 1/20 0.40
CSNK1D P48730 1/20 0.40
CLK2 P49760 1/20 0.40
IRAK1 P51617 1/20 0.40

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
SCHEMBL14735997 0.83 PDE10A (0.46) PDE10AALDH1A1NPSR1KMT2AF2
SCHEMBL14736860 0.82 HDAC1 (0.54) NPSR1KMT2AF2GAAHDAC1
SCHEMBL14736544 0.80 PDE10A (0.43) PDE10AALDH1A1NPSR1KMT2AFLT3
SCHEMBL14736489 0.78 PDE10A (0.48) PDE10AALDH1A1KMT2AF2KDM4E
SCHEMBL14736453 0.76 PDE10A (0.41) PDE10AALDH1A1NPSR1KMT2AGAA
SCHEMBL14736834 0.75 NR1H2 (0.50) PDE10AALDH1A1NPSR1KMT2AF2
SCHEMBL14736193 0.72 NR1H3 (0.56) PDE10AALDH1A1NPSR1KMT2AF2
SCHEMBL14736577 0.72 PDE10A (0.48) PDE10AKDM4EMAPTHDAC1HDAC6
SCHEMBL14736524 0.71 PDE10A (0.46) PDE10AALDH1A1NPSR1KMT2AF2
SCHEMBL14736535 0.70 PDE10A (0.46) PDE10AALDH1A1NPSR1KMT2AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772510-B2 PDE10 modulators HOFFMANN-LA ROCHE INC. (US) 2014-07-08 US 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 PDE10A 1/4885ALDH1A1 775/4885NPSR1 321/4885

“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.