SCHEMBL2595641

SCHEMBL2595641

N#Cc1ccc2[nH]c(C3CNC3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.48
CHRNG P07510 1/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
CHRND Q07001 1/20 0.48
NPY5R Q15761 4/20 0.42
USP30 Q70CQ3 3/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
KCNH2 Q12809 3/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
PIN1 Q13526 1/20 0.38
MAPK10 P53779 2/20 0.37
PKN1 Q16512 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
SCHEMBL2593484 0.90 PARP1 (0.45) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL2595499 0.87 NPY5R (0.46) NPY5RUSP30PARP1KCNH2
Hydrochloric Acid SCHEMBL3706842 0.86 NPY5R (0.45) NPY5RUSP30PARP1KCNH2
SCHEMBL29286044 0.78 USP30 (0.51) NPY5RUSP30PARP1KCNH2DRD2
SCHEMBL2590023 0.78 HTR2B (0.47) NPY5RUSP30PARP1KCNH2PIN1
SCHEMBL30989225 0.78 USP30 (0.51) NPY5RUSP30PARP1KCNH2DRD2
SCHEMBL2595635 0.77 NPC1 (0.54) CHRNB2CHRNA4PARP1PARP2
SCHEMBL2596056 0.77 CHRNB2 (0.44) CHRNB2CHRNA4NPY5RPARP1PARP2
SCHEMBL2595535 0.76 HTR2B (0.48) NPY5RUSP30PARP1KCNH2
Hydrochloric Acid SCHEMBL9994949 0.76 NPC1 (0.52) CHRNB2CHRNA4PARP1PARP2

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 CHRNA1 1804/4885CHRNG 2100/4885CHRNB1 1943/4885

“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.