SCHEMBL2595645

SCHEMBL2595645

N#Cc1ccc2[nH]c(C3CCN(c4nccnc4N4CCOCC4)CC3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.43
HTR2B P41595 1/20 0.43
LRRK2 Q5S007 3/20 0.42
PARP1 P09874 1/20 0.42
NPY5R Q15761 2/20 0.41
USP30 Q70CQ3 1/20 0.41
KCNH2 Q12809 3/20 0.41
PRKDC P78527 1/20 0.40
KIT P10721 3/20 0.39
PDE10A Q9Y233 1/20 0.39
FASN P49327 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KCNMA1 Q12791 1/20 0.39

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
SCHEMBL2596050 0.95 PRKDC (0.45) GRIA1HTR2BLRRK2PARP1NPY5R
SCHEMBL2595531 0.88 KIT (0.43) PARP1NPY5RUSP30KCNH2KIT
SCHEMBL2589975 0.84 KIT (0.51) USP30KITPDE10A
SCHEMBL12026721 0.82 HTR2B (0.43) HTR2BLRRK2PRKDCKITPDE10A
SCHEMBL9994960 0.82 USP30 (0.45) PARP1NPY5RUSP30KCNH2KIT
SCHEMBL12183449 0.80 PRKDC (0.47) HTR2BPRKDCKITPDE10AKDM4E
SCHEMBL2596273 0.79 USP30 (0.48) USP30KITPDE10A
SCHEMBL2595523 0.78 USP30 (0.46) PARP1NPY5RUSP30KCNH2
SCHEMBL2595528 0.77 USP30 (0.39) NPY5RUSP30KCNH2PDE10A
SCHEMBL19632289 0.76 LRRK2 (0.52) LRRK2KIT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2569299-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP claimed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US claimed
WO-2011143129-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO claimed
US-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
US-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
EP-2569299-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143129-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed
WO-2011143129-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO 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-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS HDAC10, PDE10A, PDE9A GRIA1 706/4885HTR2B 150/4885LRRK2 364/4885

“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.