SCHEMBL4239334

SCHEMBL4239334

O=C(Cl)c1cn(-c2ccnc3c(C(F)(F)F)cccc23)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.46
RORC P51449 9/20 0.44
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
DYRK3 O43781 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
FLT4 P35916 1/20 0.39
CSNK1D P48730 1/20 0.39
CLK2 P49760 1/20 0.39
LIMK1 P53667 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CDK5 Q00535 1/20 0.39
STK3 Q13188 1/20 0.39

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 SCHEMBL4248081 0.99 NCF1 (0.46) NCF1RORCCYP2C9CYP3A4NR1H2
SCHEMBL4237119 0.90 NCF1 (0.47) NCF1RORCCYP2C9CYP3A4NR1H2
SCHEMBL4237200 0.87 NR4A2 (0.52) NCF1RORC
SCHEMBL4240984 0.83 NCF1 (0.43) NCF1RORCCYP2C9CYP3A4NR1H2
Hydrochloric Acid SCHEMBL4239416 0.82 NCF1 (0.43) NCF1RORCCYP2C9CYP3A4NR1H2
Hydrochloric Acid SCHEMBL4236188 0.78 TNFSF11 (0.42) CYP2C9GSK3BDYRK3PRKD3MAP4K4
Hydrochloric Acid SCHEMBL4237222 0.78 ADRB2 (0.44) NCF1CYP2C9GSK3AGSK3BDYRK3
Hydrochloric Acid SCHEMBL4242731 0.77 ADRB2 (0.39) NCF1RORCCYP2C9CYP3A4PTGDR2
SCHEMBL14255150 0.75 MAPT (0.46) NCF1HTT
Hydrochloric Acid SCHEMBL4236715 0.74 CYP1A2 (0.43) RORCCYP3A4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 464/4885CYP2C9 72/4885

“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.