SCHEMBL2233449

SCHEMBL2233449

CCn1cnc2c(=O)n(-c3ccc(F)cc3)c(Cl)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
CDK1 P06493 7/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.38

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
SCHEMBL1993358 0.90 CNR1 (0.43) NPC1RAB9AHPGDLMNATSHR
SCHEMBL1990186 0.83 CDK1 (0.39) MAT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4524676 0.82 GAA (0.43) MAT2ASMN1; SMN2HPGDLMNATSHR
SCHEMBL4357095 0.81 MAT2A (0.38) MAT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4527623 0.81 MAPK1 (0.40) MAT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4531050 0.81 SMN1; SMN2 (0.42) MAT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4524598 0.80 RXFP1 (0.40) MAT2ASMN1; SMN2HPGDLMNACDK1
SCHEMBL4526037 0.79 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HPGDLMNA
SCHEMBL4520799 0.79 CTSV (0.39) MAT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4100584 0.79 CNR1 (0.51) MAT2ANPC1HPGDLMNATSHR

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-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-8003656-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2011-08-23 US disclosed
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US disclosed
CN-101506210-A 2-Phenoxypyrimidinone analogs NEUROGEN CORP (US) 2009-08-12 CN disclosed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 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 (3 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-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES PIGS, GPR174, GPR17 MAT2A 1408/4885NPC1 1750/4885RAB9A 1033/4885
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES GPR174, GPR17, PTGFR MAT2A 1139/4885NPC1 2715/4885RAB9A 1504/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR MAT2A 1139/4885NPC1 2715/4885RAB9A 1504/4885

“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.