SCHEMBL4242997

SCHEMBL4242997

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 4/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
CYP2D6 P10635 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK8 P45983 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
AR P10275 2/20 0.34
ROCK1 Q13464 2/20 0.34
CAPN1 P07384 1/20 0.33
RORC P51449 1/20 0.33
NTSR1 P30989 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADRB2 P07550 1/20 0.33
NCF1 P14598 1/20 0.33

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 SCHEMBL4236327 0.99 MALT1 (0.36) MALT1JAK2JAK1CYP2D6RAB9A
SCHEMBL4245169 0.92 MALT1 (0.37) MALT1JAK2JAK1CYP2D6RAB9A
Hydrochloric Acid SCHEMBL4240291 0.91 MALT1 (0.36) MALT1JAK2JAK1CYP2D6RAB9A
SCHEMBL4240870 0.90 ROCK1 (0.37) MALT1JAK2JAK1CYP2D6RAB9A
SCHEMBL4240352 0.89 CAPN1 (0.39) MALT1ROCK1CAPN1ADRB2NCF1
SCHEMBL4247704 0.89 HTR3A (0.38) MALT1ARROCK1NTSR1ADRB2
SCHEMBL4244710 0.88 NTSR1 (0.39) MALT1SMN1; SMN2NTSR1MAPK1
Hydrochloric Acid SCHEMBL4236769 0.88 HTR3A (0.38) MALT1RAB9ASMN1; SMN2CYP1A2AR
SCHEMBL4236291 0.86 KDM4E (0.43) RAB9ASMN1; SMN2CYP1A2CYP3A4ROCK1
Trifluoroacetic Acid SCHEMBL4240979 0.85 L3MBTL1 (0.35) MALT1CYP3A4ROCK1RORC

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 MALT1 2550/4885JAK2 288/4885JAK1 664/4885

“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.