SCHEMBL4243769

SCHEMBL4243769

Cc1cc(-n2cc(C(=O)NC(=N)N)c3ccccc32)c2cccc(F)c2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD38 P28907 6/20 0.40
RORC P51449 8/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
BTK Q06187 1/20 0.37
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
BLM P54132 1/20 0.36
SCN2B O60939 1/20 0.35
SCN1B Q07699 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
CYP1A2 P05177 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
SCHEMBL4240199 0.85 L3MBTL1 (0.43) RORCMEN1KMT2AALDH1A1
SCHEMBL4244687 0.84 GAA (0.38) RORCMEN1KMT2AALDH1A1
SCHEMBL4239462 0.84 GAA (0.44) RORCALDH1A1
SCHEMBL4236197 0.83 ROCK1 (0.38) RORCCYP3A4CYP2C9ALDH1A1ADORA2A
SCHEMBL6083005 0.82 CD38 (0.41) CD38CYP3A4KCNH2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4243180 0.82 PIK3R2 (0.41) RORCMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4247336 0.79 L3MBTL1 (0.42) RORCCYP3A4CYP2C9BTKADORA2A
SCHEMBL6082440 0.78 CD38 (0.39) CD38CYP3A4KCNH2MEN1KMT2A
SCHEMBL4245432 0.77 RORC (0.36) RORCCYP3A4CYP2C9BTK
SCHEMBL4240984 0.75 NCF1 (0.43) RORCCYP3A4CYP2C9SCN9AADORA2A

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 CD38 729/4885RORC 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.