SCHEMBL4244196

SCHEMBL4244196

N=C(N)NC(=O)c1cn(-c2cccc3cccnc23)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR3A P46098 5/20 0.42
PARP1 P09874 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
KDR P35968 2/20 0.36
ROCK1 Q13464 1/20 0.36
HDAC1 Q13547 1/20 0.36
EGLN1 Q9GZT9 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
SCHEMBL4069712 0.89 KDM4E (0.46) KDM4EMAPTSMN1; SMN2HTR3APARP1
SCHEMBL4240873 0.81 PIK3R2 (0.47) HTR3ACYP1A2CYP3A4CYP2C19
SCHEMBL4236197 0.81 ROCK1 (0.38) KDM4EHTR3ACYP1A2CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL4238513 0.81 ALDH1A1 (0.48) KDM4EMAPTSMN1; SMN2HTR3APARP1
SCHEMBL4240296 0.80 COMT (0.39) HTR3AKMT2AROCK1
SCHEMBL4243232 0.80 NR4A2 (0.56) KDM4EMAPTSMN1; SMN2HTR3AGAA
Hydrochloric Acid SCHEMBL4236715 0.80 CYP1A2 (0.43) KDM4EMAPTSMN1; SMN2HTR3APARP1
SCHEMBL4236193 0.79 KDR (0.39) MAPTSMN1; SMN2HTR3AMEN1KMT2A
SCHEMBL4247704 0.79 HTR3A (0.38) HTR3AMEN1KMT2AROCK1
Hydrochloric Acid SCHEMBL4239816 0.79 COMT (0.39) HTR3AKMT2AROCK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531663-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US claimed
US-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-03 US claimed
US-7531663-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US disclosed
US-7531663-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US disclosed
US-7531663-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US disclosed
US-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-03 US disclosed
WO-2004007480-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-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them IDO1, IDO2, HTR3C KDM4E 1286/4885MAPT 1403/4885SMN1; SMN2 4016/4885

“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.