SCHEMBL4240873

SCHEMBL4240873

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 11/20 0.47
RORC P51449 7/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
NR4A2 P43354 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR3A P46098 1/20 0.36

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
SCHEMBL4236197 0.88 ROCK1 (0.38) PIK3R2RORCCYP3A4CYP2C9CYP1A2
SCHEMBL4240984 0.85 NCF1 (0.43) RORCCYP3A4CYP2C9HTR3A
Hydrochloric Acid SCHEMBL4239416 0.84 NCF1 (0.43) RORCCYP3A4CYP2C9HTR3A
SCHEMBL4247704 0.84 HTR3A (0.38) NR4A2HTR3A
Hydrochloric Acid SCHEMBL4236769 0.83 HTR3A (0.38) NR4A2CYP1A2CYP2C19HTR3A
Trifluoroacetic Acid SCHEMBL4247336 0.83 L3MBTL1 (0.42) PIK3R2RORCCYP3A4CYP2C9CYP1A2
SCHEMBL4241610 0.82 ROCK1 (0.39) RORCNR4A2HTR3A
SCHEMBL4244642 0.82 NTSR1 (0.43)
SCHEMBL4239922 0.82 PABPC1 (0.40) PIK3R2RORC
SCHEMBL4244196 0.81 KDM4E (0.44) CYP3A4CYP1A2CYP2C19HTR3A

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 3 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-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 PIK3R2 2322/4885RORC 464/4885CYP3A4 29/4885

“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.