SCHEMBL4241847

SCHEMBL4241847

Cc1ccc2c(c1)c(C(=O)NC(=N)N)cn2-c1ccnc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.41
MALT1 Q9UDY8 2/20 0.38
KDR P35968 1/20 0.37
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
NTSR1 P30989 1/20 0.35
F10 P00742 1/20 0.35
HTR3A P46098 2/20 0.35
NR2E1 Q9Y466 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RORA P35398 1/20 0.33
SLC9A1 P19634 1/20 0.33
DNMT1 P26358 1/20 0.33
KCNH2 Q12809 1/20 0.33
AR P10275 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 SCHEMBL4241861 0.99 PTGDR2 (0.40) PTGDR2MALT1KDRHTR2CHTR2B
SCHEMBL4247704 0.89 HTR3A (0.38) MALT1KMT2ANTSR1F10HTR3A
SCHEMBL4245169 0.88 MALT1 (0.37) MALT1HTR2CHTR2BRAB9ANTSR1
SCHEMBL4240969 0.88 MALT1 (0.38) MALT1NTSR1KCNH2
Hydrochloric Acid SCHEMBL4236769 0.88 HTR3A (0.38) MALT1NPC1RAB9APOLBKMT2A
Hydrochloric Acid SCHEMBL4240291 0.87 MALT1 (0.36) MALT1HTR2CHTR2BRAB9ANTSR1
SCHEMBL4236291 0.84 KDM4E (0.43) PTGDR2KDRNPC1RAB9AKMT2A
SCHEMBL4236274 0.83 PTGDR2 (0.48) PTGDR2KDRHTR2CHTR2BKMT2A
SCHEMBL4240352 0.83 CAPN1 (0.39) MALT1KDRPOLBKMT2AF10
SCHEMBL4241729 0.83 NPC1 (0.43) PTGDR2MALT1KDRNPC1RAB9A

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 PTGDR2 1004/4885MALT1 2550/4885KDR 3193/4885

“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.