SCHEMBL4240352

SCHEMBL4240352

N=C(N)NC(=O)c1cn(-c2ccnc3ccccc23)c2cc(O)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 12/20 0.39
DYRK3 O43781 3/20 0.36
ROCK2 O75116 3/20 0.36
RPS6KA5 O75582 3/20 0.36
PRKD3 O94806 3/20 0.36
MAP4K4 O95819 3/20 0.36
CDK1 P06493 3/20 0.36
PRKACA P17612 3/20 0.36
CDK2 P24941 3/20 0.36
CSNK1D P48730 3/20 0.36
CLK2 P49760 3/20 0.36
GSK3A P49840 3/20 0.36
GSK3B P49841 3/20 0.36
IRAK1 P51617 3/20 0.36
RPS6KA3 P51812 3/20 0.36
PRKX P51817 3/20 0.36
LIMK1 P53667 3/20 0.36
CDK5 Q00535 3/20 0.36
PRKCD Q05655 3/20 0.36
STK3 Q13188 3/20 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
SCHEMBL4247704 0.90 HTR3A (0.38) ROCK1MALT1MEN1KMT2AF10
SCHEMBL4244710 0.89 NTSR1 (0.39) AKT1KDRMALT1MEN1KMT2A
SCHEMBL4242997 0.89 MALT1 (0.37) CAPN1ROCK1MALT1ADRB2NCF1
Hydrochloric Acid SCHEMBL4236769 0.89 HTR3A (0.38) ROCK1MALT1MEN1KMT2AF10
Hydrochloric Acid SCHEMBL4236327 0.88 MALT1 (0.36) CAPN1ROCK1MALT1ADRB2NCF1
SCHEMBL4236291 0.87 KDM4E (0.43) ROCK2ROCK1DYRK1AMETKDR
Hydrochloric Acid SCHEMBL4240482 0.86 KDM4E (0.42) ROCK2ROCK1DYRK1AMETKDR
SCHEMBL4240969 0.83 MALT1 (0.38) ROCK1AKT1MALT1
SCHEMBL4245169 0.83 MALT1 (0.37) ROCK1MALT1ADRB2NCF1
SCHEMBL4241847 0.83 PTGDR2 (0.41) KDRMALT1KMT2AF10POLB

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 CAPN1 3205/4885DYRK3 460/4885ROCK2 1424/4885

“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.