SCHEMBL2595635

SCHEMBL2595635

Cc1ccc2[nH]c(C3CNC3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
LMNA P02545 3/20 0.43
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PDE10A Q9Y233 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.38
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL9994949 0.98 NPC1 (0.52) NPC1RAB9ACHRNB2CHRNA4LMNA
SCHEMBL19824770 0.87 NPC1 (0.65) NPC1RAB9ALMNAUSP2ALDH1A1
SCHEMBL27367618 0.86 NPC1 (0.57) NPC1RAB9ALMNAPARP1ALDH1A1
SCHEMBL2111216 0.84 NPC1 (0.58) NPC1RAB9ALMNAPARP1USP2
SCHEMBL13413905 0.83 NPC1 (0.78) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL2265774 0.81 NPC1 (0.58) NPC1RAB9ALMNAPDE10AUSP2
SCHEMBL2596056 0.81 CHRNB2 (0.44) CHRNB2CHRNA4LMNAPARP1PARP2
Hydrochloric Acid SCHEMBL2593494 0.79 CHRNB2 (0.42) NPC1RAB9ACHRNB2CHRNA4LMNA
SCHEMBL23010592 0.79 NPC1 (0.56) NPC1RAB9ALMNAPARP1USP2
SCHEMBL12026578 0.77 PARP1 (0.37) NPC1RAB9ACHRNB2CHRNA4PARP1

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-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
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 NPC1 1574/4885RAB9A 295/4885CHRNB2 1341/4885

“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.