SCHEMBL4247704

SCHEMBL4247704

N=C(N)NC(=O)c1cn(-c2ccnc3ccccc23)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.38
ADRB2 P07550 1/20 0.37
NCF1 P14598 1/20 0.37
NR4A2 P43354 1/20 0.36
MALT1 Q9UDY8 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ROCK1 Q13464 1/20 0.35
F10 P00742 3/20 0.35
NTSR1 P30989 1/20 0.35
AR P10275 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
Hydrochloric Acid SCHEMBL4236769 0.99 HTR3A (0.38) HTR3AADRB2NCF1NR4A2MALT1
SCHEMBL4240352 0.90 CAPN1 (0.39) ADRB2NCF1MALT1MEN1KMT2A
SCHEMBL4240969 0.89 MALT1 (0.38) MALT1ROCK1NTSR1
SCHEMBL4241847 0.89 PTGDR2 (0.41) HTR3AMALT1KMT2AF10NTSR1
SCHEMBL4244710 0.89 NTSR1 (0.39) MALT1MEN1KMT2ANTSR1
SCHEMBL4240870 0.89 ROCK1 (0.37) HTR3AMALT1ROCK1F10
SCHEMBL4245169 0.89 MALT1 (0.37) ADRB2NCF1MALT1ROCK1NTSR1
SCHEMBL4242997 0.89 MALT1 (0.37) ADRB2NCF1MALT1ROCK1NTSR1
SCHEMBL4244642 0.89 NTSR1 (0.43) ADRB2NCF1MEN1KMT2ANTSR1
SCHEMBL4241610 0.89 ROCK1 (0.39) HTR3ANR4A2MALT1ROCK1NTSR1

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-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-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

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 HTR3A 7/4885ADRB2 19/4885NCF1 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.