SCHEMBL4240984

SCHEMBL4240984

N=C(N)NC(=O)c1cn(-c2ccnc3c(C(F)(F)F)cccc23)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.43
RORC P51449 3/20 0.38
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
AURKA O14965 2/20 0.37
DYRK3 O43781 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
FLT4 P35916 1/20 0.37
CSNK1D P48730 1/20 0.37
CLK2 P49760 1/20 0.37
LIMK1 P53667 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CDK5 Q00535 1/20 0.37
STK3 Q13188 1/20 0.37
DYRK1A Q13627 1/20 0.37
BRSK1 Q8TDC3 1/20 0.37
CLK4 Q9HAZ1 1/20 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
Hydrochloric Acid SCHEMBL4239416 0.99 NCF1 (0.43) NCF1RORCGSK3AGSK3BAURKA
SCHEMBL4236197 0.87 ROCK1 (0.38) RORCGSK3AGSK3BAURKAPRKD3
Trifluoroacetic Acid SCHEMBL4247336 0.86 L3MBTL1 (0.42) RORCPRKD3MAP4K4CDK1CDK2
SCHEMBL4240873 0.85 PIK3R2 (0.47) RORCCYP3A4CYP2C9HTR3A
SCHEMBL4237119 0.84 NCF1 (0.47) NCF1RORCGSK3AGSK3BAURKA
SCHEMBL4239913 0.83 TRPV1 (0.37) RORCCYP2C9CNR2
SCHEMBL4237200 0.83 NR4A2 (0.52) NCF1RORCL3MBTL1
SCHEMBL4239334 0.83 NCF1 (0.46) NCF1RORCGSK3AGSK3BAURKA
Hydrochloric Acid SCHEMBL4248081 0.82 NCF1 (0.46) NCF1RORCGSK3AGSK3BAURKA
SCHEMBL4247704 0.81 HTR3A (0.38) NCF1HTR3A

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-20040214820-A1 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-28 US claimed
US-7638521-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-12-29 US disclosed
US-7638521-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-12-29 US disclosed
US-7638521-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-12-29 US disclosed
US-20040214820-A1 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-28 US disclosed
WO-2004007479-A1 3-GUANIDINOCARBONYL-1-HETEROARYL-INDOLE DERIVATIVES, PREPARATION PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 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-20040214820-A1 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them IDO1, IDO2, HTR3C NCF1 3098/4885RORC 464/4885GSK3A 188/4885

“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.