SCHEMBL2596050

SCHEMBL2596050

N#Cc1ccc2[nH]c(C3CCN(c4nccnc4N4CCOCC4)C3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.45
USP30 Q70CQ3 5/20 0.43
GRIA1 P42261 2/20 0.41
LRRK2 Q5S007 3/20 0.41
PDE10A Q9Y233 3/20 0.39
CHEK1 O14757 1/20 0.39
CHEK2 O96017 1/20 0.39
HTR2B P41595 1/20 0.39
PARP1 P09874 1/20 0.38
FASN P49327 1/20 0.38
KCNH2 Q12809 1/20 0.37
NPY5R Q15761 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
SCHEMBL2595645 0.95 GRIA1 (0.43) PRKDCUSP30GRIA1LRRK2PDE10A
SCHEMBL9994960 0.87 USP30 (0.45) USP30PARP1KCNH2NPY5R
SCHEMBL12183449 0.85 PRKDC (0.47) PRKDCPDE10AHTR2B
SCHEMBL2596273 0.84 USP30 (0.48) USP30PDE10A
SCHEMBL2595523 0.83 USP30 (0.46) USP30PARP1KCNH2NPY5R
SCHEMBL2595531 0.83 KIT (0.43) USP30PARP1KCNH2NPY5R
SCHEMBL2589975 0.80 KIT (0.51) USP30PDE10A
SCHEMBL2595528 0.79 USP30 (0.39) USP30PDE10AKCNH2NPY5R
SCHEMBL2595497 0.78 PRKDC (0.43) PRKDCPDE10AHTR2B
SCHEMBL9994963 0.78 ALDH1A1 (0.45) PRKDCLRRK2PDE10AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US 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
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
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

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 PRKDC 827/4885USP30 711/4885GRIA1 706/4885

“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.