SCHEMBL4236197

SCHEMBL4236197

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.38
RORC P51449 4/20 0.37
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
HTR3A P46098 4/20 0.35
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PIK3R2 O00459 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CDC7 O00311 1/20 0.34
AURKA O14965 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
CDK1 P06493 1/20 0.34
CSF1R P07333 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL4247336 0.94 L3MBTL1 (0.42) ROCK1RORCCYP2C9CYP3A4HTR3A
SCHEMBL4245432 0.89 RORC (0.36) ROCK1RORCCYP2C9CYP3A4HTR3A
SCHEMBL4240873 0.88 PIK3R2 (0.47) RORCCYP2C9CYP3A4HTR3APIK3R2
SCHEMBL4240984 0.87 NCF1 (0.43) RORCCYP2C9CYP3A4HTR3AL3MBTL1
Hydrochloric Acid SCHEMBL4239416 0.86 NCF1 (0.43) RORCCYP2C9CYP3A4HTR3AL3MBTL1
SCHEMBL4247339 0.85 MALT1 (0.35) ROCK1RORCCYP2C9CYP3A4HTR3A
SCHEMBL4247704 0.84 HTR3A (0.38) ROCK1HTR3AMALT1
SCHEMBL4243769 0.83 CD38 (0.40) RORCCYP2C9CYP3A4ADORA2AADORA1
Hydrochloric Acid SCHEMBL4236769 0.83 HTR3A (0.38) ROCK1HTR3ANPC1RAB9AMALT1
SCHEMBL4240870 0.82 ROCK1 (0.37) ROCK1RORCCYP2C9CYP3A4HTR3A

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 ROCK1 966/4885RORC 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.