SCHEMBL2899875

SCHEMBL2899875

O=c1[nH]nc(-c2ccccc2)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
BTK Q06187 1/20 0.59
HPGD P15428 4/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 5/20 0.50
GAA P10253 3/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CDK8 P49336 1/20 0.49
CDK5 Q00535 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALPL P05186 1/20 0.48
IDO1 P14902 1/20 0.48
TTK P33981 1/20 0.48

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
SCHEMBL1065660 0.84 ATM (0.56) ATMNPSR1BTKHPGDNPC1
SCHEMBL29870198 0.75 NPSR1 (1.00) ATMNPSR1HPGDNPC1RAB9A
SCHEMBL581143 0.75 NPSR1 (1.00) ATMNPSR1HPGDNPC1RAB9A
Hydrochloric Acid SCHEMBL2650936 0.75 NPSR1 (0.65) ATMNPSR1BTKHPGDNPC1
SCHEMBL4784523 0.74 BTK (1.00) ATMNPSR1BTKHPGDNPC1
SCHEMBL11169740 0.73 MEN1 (0.65) ATMNPSR1BTKHPGDNPC1
SCHEMBL11480060 0.73 NPSR1 (0.63) ATMNPSR1HPGDNPC1RAB9A
SCHEMBL32670348 0.72 ATM (0.52) ATMNPSR1BTKHPGDNPC1
SCHEMBL29414701 0.72 TYMP (0.47) BTKHPGDRAB9AKDM4EHSD17B10
SCHEMBL3988734 0.72 NPSR1 (0.61) ATMNPSR1BTKHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217168-B2 Azabicyclo [3. 1. 0] hexyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2012-07-10 US disclosed
EP-2205560-B1 AZABICYCLO [3. 1. 0]HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2011-12-28 EP disclosed
US-20100240661-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-09-23 US disclosed
EP-2205560-A1 AZABICYCLO Ý3. 1. 0¨HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS Glaxo Group Limited (GB) 2010-07-14 EP disclosed
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 US disclosed
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 US disclosed
WO-2009043884-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-04-09 WO disclosed
US-6951858-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-04 US disclosed
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-04-07 US disclosed
EP-1414808-A1 1,2,4-TRIAZIN-3,5-DIONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRH) ANTAGONISTS Neurocrine Biosciences, Inc. (US) 2004-05-06 EP disclosed
US-6673796-B2 SEXUAL DISORDERS NEUROCRINE BIOSCIENCES, INC. 2004-01-06 US disclosed
US-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-06-19 US disclosed
WO-2003011841-A1 1,2,4-TRIAZIN-3,5-DIONES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR (GNRH) ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2003-02-13 WO disclosed
US-6303603-B1 FOR THEARPY OF ANXIETY, DEPRESSION, SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2001-10-16 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 (4 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-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR ATM 4784/4885NPSR1 26/4885BTK 4152/4885
US-20100240661-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, CHRNA5, NR3C2 ATM 4544/4885NPSR1 63/4885BTK 3320/4885
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction PRKCH, AIP, PRKCE ATM 2047/4885NPSR1 684/4885BTK 1860/4885
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, LHCGR, GHRHR ATM 4595/4885NPSR1 26/4885BTK 3771/4885

“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.