SCHEMBL440866

SCHEMBL440866

CCNC(=O)c1nc(C)cnc1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.46
▸ GABRA5 P31644 1/20 0.45
▸ PDE10A Q9Y233 3/20 0.43
▸ PDE2A O00408 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ HCRTR1 O43613 1/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ PIN1 Q13526 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 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
SCHEMBL440883 0.83 CNR1 (0.40) CNR1KDM4EGAANPC1
SCHEMBL441222 0.74 KDM4E (0.42) GRM5CNR1PIN1KDM4EL3MBTL1
SCHEMBL28790230 0.71 KDM4E (0.51) GRM5PDE10APDE2ACNR1KDM4E
SCHEMBL439516 0.70 ATR (0.53) HCRTR1HCRTR2PIN1ADORA2A
SCHEMBL14082207 0.70 TRPV1 (0.58) GABRA5PDE10APDE2ALMNAHPGDS
SCHEMBL13498677 0.69 HCRTR2 (0.51) HCRTR1HCRTR2
SCHEMBL13886161 0.69 CDK8 (0.56) GABRA5PDE10APDE2ACNR1HPGDS
SCHEMBL26014756 0.68 HPGDS (0.62) GABRA5PDE10APDE2AKDM4ELMNA
SCHEMBL13310736 0.68 PARP1 (0.48) PIN1KDM4ELMNAHTTL3MBTL1
SCHEMBL22573978 0.68 GLA (0.49) GABRA5PDE10APDE2AKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065205-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2012-03-15 — — US 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-20120065205-A1 PYRAZINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R GRM5 25/4885GABRA5 93/4885PDE10A 2594/4885

“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.

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