SCHEMBL7910285

SCHEMBL7910285

NCCc1nc(-c2ccncc2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.56
GRK2 P25098 12/20 0.54
PDE10A Q9Y233 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.46
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
JAK2 O60674 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
Hydrochloric Acid SCHEMBL14736164 0.98 ROCK2 (0.55) ROCK2GRK2PDE10ALOXL2NR1H2
SCHEMBL4789632 0.86 ROCK2 (0.56) ROCK2GRK2PDE10ANR1H2NR1H3
Bromide SCHEMBL4788732 0.84 ROCK2 (0.55) ROCK2GRK2PDE10ANR1H2NR1H3
Hydrochloric Acid SCHEMBL4789635 0.84 ROCK2 (0.55) ROCK2GRK2PDE10ANR1H2NR1H3
SCHEMBL2228226 0.84 NR1H2 (0.62) ROCK2GRK2PDE10ALOXL2NR1H2
Hydrochloric Acid SCHEMBL14736775 0.83 NR1H2 (0.60) ROCK2GRK2PDE10ALOXL2NR1H2
SCHEMBL2227964 0.81 RET (0.59) ROCK2GRK2NR1H2NR1H3
SCHEMBL2222389 0.81 AOC3 (0.45) ROCK2PDE10ANR1H2NR1H3
SCHEMBL14736431 0.81 SMN1; SMN2 (0.55) PDE10ANR1H2NR1H3KDM4E
SCHEMBL7654725 0.80 ROCK2 (0.53) ROCK2GRK2PDE10A

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 13 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
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
US-8637500-B2 Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors AMGEN INC. (US) 2014-01-28 US disclosed
EP-2574607-A1 PDE10 modulators F. Hoffmann-La Roche AG (CH) 2013-04-03 EP 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
EP-2376455-B1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
WO-2010077992-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-07-08 WO disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-06-24 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 (2 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 ROCK2 76/4885GRK2 288/4885PDE10A 1/4885
US-20100160280-A1 AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS PDE4A, PDE7A, PDE4D ROCK2 1333/4885GRK2 1553/4885PDE10A 10/4885

“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.