SCHEMBL2595531

SCHEMBL2595531

N#Cc1ccc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 8/20 0.43
USP30 Q70CQ3 4/20 0.42
AKT1 P31749 3/20 0.41
PARP1 P09874 1/20 0.41
AKT2 P31751 2/20 0.40
KCNH2 Q12809 2/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL9994960 0.94 USP30 (0.45) KITUSP30AKT1PARP1AKT2
SCHEMBL2595528 0.89 USP30 (0.39) USP30AKT1AKT2KCNH2NPY5R
SCHEMBL2595645 0.88 GRIA1 (0.43) KITUSP30PARP1KCNH2NPY5R
SCHEMBL2589975 0.86 KIT (0.51) KITUSP30AKT1AKT2
SCHEMBL2595523 0.84 USP30 (0.46) USP30AKT1PARP1KCNH2NPY5R
SCHEMBL2589991 0.84 HTR2B (0.40) KCNH2
SCHEMBL2596050 0.83 PRKDC (0.45) USP30PARP1KCNH2NPY5R
SCHEMBL12026704 0.81 CNR1 (0.38)
SCHEMBL2596273 0.80 USP30 (0.48) KITUSP30AKT1AKT2
SCHEMBL2595535 0.78 HTR2B (0.48) USP30PARP1KCNH2NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KIT 4874/4885USP30 711/4885AKT1 493/4885

“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.