SCHEMBL14736240

SCHEMBL14736240

Cc1cn(-c2ccccc2)nc1CC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
KDM4E B2RXH2 3/20 0.41
RAB9A P51151 5/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 4/20 0.39
NPC1 O15118 4/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
ALOX12 P18054 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL17887297 0.84 MAPT (0.48) KDM4ERAB9AMAPTNPC1MEN1
SCHEMBL12871812 0.80 RAB9A (0.44) KDM4ERAB9AMAPTLMNAMAPK1
SCHEMBL11765551 0.79 RAB9A (0.52) TSHRKDM4ERAB9AMAPTLMNA
SCHEMBL14736044 0.78 RAB9A (0.43) KDM4ERAB9AMAPTLMNAMAPK1
SCHEMBL14435740 0.78 RAB9A (0.57) TSHRKDM4ERAB9AMAPTLMNA
SCHEMBL11763349 0.77 RAB9A (0.47) TSHRKDM4ERAB9AMAPTLMNA
SCHEMBL14736159 0.75 RAB9A (0.41) KDM4ERAB9AMAPTLMNAMAPK1
SCHEMBL27225529 0.75 TSHR (0.50) TSHRKDM4ERAB9AMAPTLMNA
SCHEMBL11766774 0.74 RAB9A (0.74) KDM4ERAB9AMAPTNPC1MEN1
SCHEMBL11761470 0.74 PTGS2 (0.50) KDM4ERAB9AMAPTMEN1KMT2A

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 TSHR 797/4885KDM4E 1461/4885RAB9A 109/4885

“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.