SCHEMBL4239462

SCHEMBL4239462

Cc1cc(-n2cc(C(=O)NC(=N)N)c3ccccc32)c2cc(F)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.43
ATM Q13315 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
DHODH Q02127 1/20 0.38
PLA2G2A P14555 1/20 0.37
RORC P51449 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4244687 0.93 GAA (0.38) GAAALDH1A1ATMKDM4ERORC
SCHEMBL4240199 0.90 L3MBTL1 (0.43) GAAALDH1A1KDM4ERORCL3MBTL1
Trifluoroacetic Acid SCHEMBL4243180 0.87 PIK3R2 (0.41) KDM4ERORCL3MBTL1
SCHEMBL4240870 0.85 ROCK1 (0.37) RORC
SCHEMBL4243769 0.84 CD38 (0.40) ALDH1A1RORC
Trifluoroacetic Acid SCHEMBL4240979 0.82 L3MBTL1 (0.35) RORCL3MBTL1
SCHEMBL6082285 0.81 GAA (0.42) GAAALDH1A1ATMKDM4EHSD17B10
SCHEMBL4245433 0.78 ADRB2 (0.43) ALDH1A1KDM4EHSD17B10RORC
SCHEMBL4060598 0.78 SMN1; SMN2 (0.42) GAAKDM4ERORCL3MBTL1
SCHEMBL4243183 0.77 PIK3R2 (0.37) GAAALDH1A1KDM4EL3MBTL1

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 GAA 688/4885ALDH1A1 963/4885ATM 2094/4885

“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.