SCHEMBL4243183

SCHEMBL4243183

Cc1cc(-n2cc(C(=O)NC(=N)NOC(=O)C(F)(F)F)c3ccccc32)c2ccccc2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCF1 P14598 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
NR4A2 P43354 1/20 0.35
HTT P42858 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35

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 SCHEMBL4243180 0.86 PIK3R2 (0.41) PIK3R2L3MBTL1NCF1SMN1; SMN2LMNA
SCHEMBL6082145 0.85 L3MBTL1 (0.38) PIK3R2L3MBTL1NCF1SMN1; SMN2LMNA
SCHEMBL4240199 0.84 L3MBTL1 (0.43) PIK3R2L3MBTL1NCF1SMN1; SMN2LMNA
SCHEMBL4242771 0.84 MALT1 (0.34) LMNANR4A2HTTKDM4E
SCHEMBL6224003 0.83 PIK3R2 (0.39) PIK3R2L3MBTL1NCF1SMN1; SMN2LMNA
SCHEMBL6183790 0.81 NCF1 (0.37) PIK3R2L3MBTL1NCF1SMN1; SMN2LMNA
SCHEMBL4241091 0.79 NTSR1 (0.42) KDM4EMEN1KMT2A
SCHEMBL4240982 0.78 ROCK1 (0.34) SMN1; SMN2KMT2ARAB9A
SCHEMBL4239462 0.77 GAA (0.44) L3MBTL1KDM4EGAAALDH1A1
SCHEMBL4244687 0.77 GAA (0.38) PIK3R2L3MBTL1NCF1SMN1; SMN2LMNA

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 4 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
EP-1530566-A1 3-GUANIDINOCARBONYL-1-HETEROARYL-INDOLE DERIVATIVES, PREPARATION PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2005-05-18 EP 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 PIK3R2 2322/4885L3MBTL1 4827/4885NCF1 3098/4885

“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.