SCHEMBL1714796

SCHEMBL1714796

O=C1CN=C(CCc2ccccc2)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
NISCH Q9Y2I1 1/20 0.50
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
DAO P14920 4/20 0.40
MME P08473 1/20 0.40
PARP1 P09874 1/20 0.39
P2RX7 Q99572 1/20 0.38
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BACE1 P56817 1/20 0.37
P2RX4 Q99571 2/20 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
SCHEMBL30425163 0.69 HSD17B10 (0.43) MAOAMAOBGABRA1GABRG2GABRB3
SCHEMBL1714339 0.68 ALDH1A1 (0.34) NISCHGABRA1GABRG2GABRB3GABRA5
SCHEMBL29899821 0.68 DDB1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29899841 0.67 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
Phenyzoline SCHEMBL3172677 0.67 NISCH (1.00) MAOAMAOBNISCHKCNH2
SCHEMBL1755701 0.66
SCHEMBL5020014 0.66
SCHEMBL22806863 0.66 PARP1 (0.46) MAOAMAOBNISCHDAOPARP1
SCHEMBL4795842 0.66 GABRA1 (0.54) NISCHGABRA1GABRG2GABRB3GABRA5
SCHEMBL9741303 0.66 ALDH1A1 (0.69) MAOAMAOBSMN1; SMN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 US disclosed
EP-2094699-B1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI AVENTIS (FR) 2011-07-20 EP disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 US disclosed
EP-2094699-A2 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 Sanofi-Aventis (FR) 2009-09-02 EP disclosed
CN-101522678-A Novel imidazolinone derivatives, their preparation as medicaments, pharmaceutical compositions, their use as inhibitors of kinases, in particular CDC7 SANOFI AVENTIS (FR) 2009-09-02 CN disclosed
WO-2008046982-A2 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2008-04-24 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-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 CDC7, CDK7, CDK17 MAOA 4246/4885MAOB 4150/4885NISCH 2807/4885

“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.