SCHEMBL14736159

SCHEMBL14736159

Cc1cn(-c2ccccc2)nc1CCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
PDE10A Q9Y233 1/20 0.41
ADORA1 P30542 3/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
MAOA P21397 1/20 0.40
NOTUM Q6P988 1/20 0.40
NPC1 O15118 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.38

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
SCHEMBL12871812 0.81 RAB9A (0.44) RAB9APDE10AADORA1ADORA2AADORA2B
SCHEMBL14736044 0.79 RAB9A (0.43) RAB9APDE10AADORA1ADORA2AADORA2B
SCHEMBL14435740 0.79 RAB9A (0.57) RAB9APDE10ANOTUMNPC1KMT2A
SCHEMBL14736670 0.76 RAB9A (0.45) RAB9APDE10AADORA1ADORA2AADORA2B
SCHEMBL14736240 0.75 TSHR (0.43) RAB9AADORA1ADORA2AADORA2BNPC1
SCHEMBL11337983 0.73 ADORA1 (0.54) RAB9AADORA1ADORA2AADORA2BNPC1
SCHEMBL5341410 0.72 RAB9A (0.50) RAB9AADORA1ADORA2AADORA2BNPC1
SCHEMBL23398992 0.71 RAB9A (0.47) RAB9AADORA1ADORA2AADORA2BNPC1
SCHEMBL25281653 0.69 ADORA1 (0.42) RAB9AADORA1ADORA2AADORA2BNPC1
SCHEMBL2754805 0.69 ADORA1 (0.50) RAB9AADORA1ADORA2AADORA2BMAOA

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 RAB9A 109/4885PDE10A 1/4885ADORA1 110/4885

“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.