SCHEMBL2233753

SCHEMBL2233753

Cn1cnc2c(=O)n(-c3ccc(Br)cc3)c(Cl)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
YTHDC1 Q96MU7 1/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
GRM1 Q13255 3/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
GRM5 P41594 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
MAOB P27338 3/20 0.34
MAOA P21397 2/20 0.34
ESR2 Q92731 1/20 0.33
THRB P10828 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL1997653 0.89 CDK1 (0.41) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL1990186 0.86 CDK1 (0.39) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL11920289 0.84 PDE4A (0.36) CDK1RXFP1YTHDC1PDE4APDE4B
SCHEMBL11920292 0.83 CDK1 (0.38) CDK1YTHDC1PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL2235650 0.83 PDE4A (0.36) CDK1RXFP1YTHDC1PDE4APDE4B
SCHEMBL4517838 0.74 CDK1 (0.38) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL4518321 0.74 CDK1 (0.38) CDK1YTHDC1PDE4APDE4BPDE4C
SCHEMBL5437956 0.74 ATM (0.42) CDK1GRM1MAOBMAOASMN1; SMN2
SCHEMBL2235601 0.74 MAOB (0.38) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL1997999 0.73 TRPV1 (0.37) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 US disclosed
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 US disclosed
US-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 US disclosed
EP-2061794-B1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORP (US) 2012-12-05 EP disclosed
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2012-08-16 US disclosed
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2012-08-16 US disclosed
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2012-08-16 US disclosed
US-8003656-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2011-08-23 US disclosed
US-8003656-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2011-08-23 US disclosed
US-8003656-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2011-08-23 US disclosed
EP-2061794-A2 2-PHENOXY PYRIMIDINONE ANALOGUES Neurogen Corporation (US) 2009-05-27 EP disclosed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 US disclosed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 US disclosed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 US disclosed
WO-2008024438-A2 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2008-02-28 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 (2 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-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES GPR174, GPR17, PTGFR CDK1 4196/4885RXFP1 334/4885YTHDC1 4683/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR CDK1 4196/4885RXFP1 334/4885YTHDC1 4683/4885

“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.