SCHEMBL14736941

SCHEMBL14736941

COCCn1nc(-c2ccccc2)nc1CCNC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.64
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
ALPL P05186 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL14736521 0.87 PDE10A (0.58) PDE10AHPGDALDH1A1
SCHEMBL14736091 0.80 PDE10A (0.49) PDE10ATSHRHPGDKDM4EALDH1A1
SCHEMBL2039451 0.80 PDE10A (0.48) PDE10ATSHRHPGDKDM4EALDH1A1
SCHEMBL14736090 0.80 PDE10A (0.49) PDE10ATSHRHPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL14736355 0.79 PDE10A (0.48) PDE10ATSHRHPGDKDM4EALDH1A1
SCHEMBL14751460 0.79 PDE10A (1.00) PDE10A
SCHEMBL14736380 0.79 PDE10A (0.59) PDE10ATSHRALDH1A1KMT2ATP53
SCHEMBL14736479 0.78 PDE10A (0.61) PDE10ATSHRALDH1A1KMT2AGAA
SCHEMBL17004108 0.77 PDE10A (0.81) PDE10A
SCHEMBL14736388 0.77 PDE10A (0.62) PDE10AHPGDKDM4EALDH1A1

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
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 1/4885TSHR 797/4885HPGD 1466/4885

“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.