SCHEMBL14736604

SCHEMBL14736604

Cc1nc(-c2ccccc2)nn1CC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
KMT2A Q03164 2/20 0.49
NR1H3 Q13133 7/20 0.49
LMNA P02545 5/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NR1H2 P55055 4/20 0.48
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL14736124 0.77 PDE10A (0.59) TSHRKMT2ANR1H3LMNAALDH1A1
SCHEMBL14736606 0.76 NR1H3 (0.53) TSHRKMT2ANR1H3LMNAALDH1A1
SCHEMBL7921132 0.76 NR1H3 (0.53) TSHRKMT2ANR1H3LMNAALDH1A1
Hydrochloric Acid SCHEMBL14736512 0.75 NR1H3 (0.51) TSHRKMT2ANR1H3LMNAALDH1A1
SCHEMBL15024362 0.73 TSHR (0.69) TSHRKMT2ANR1H3LMNAALDH1A1
SCHEMBL8650872 0.73 GAA (0.57) TSHRKMT2ANR1H3ALDH1A1GAA
SCHEMBL14736193 0.72 NR1H3 (0.56) TSHRKMT2ANR1H3LMNAALDH1A1
SCHEMBL3393288 0.72 NR1H2 (0.63) TSHRKMT2ANR1H3ALDH1A1GAA
SCHEMBL11272510 0.71 NR1H2 (0.76) TSHRKMT2ANR1H3LMNAALDH1A1
SCHEMBL18095035 0.71 NR1H3 (0.54) TSHRKMT2ANR1H3LMNASMN1; SMN2

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-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
CN-103781768-B Pde10 regulator 霍夫曼-拉罗奇有限公司 2016-08-17 CN disclosed
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 TSHR 797/4885KMT2A 2193/4885NR1H3 1485/4885

“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.