SCHEMBL6083689

SCHEMBL6083689

Cc1cc(-n2cc(C)c(C(=O)NC(=N)N)c2)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
NCF1 P14598 3/20 0.43
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PIK3R2 O00459 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL6082140 0.94 L3MBTL1 (0.39) L3MBTL1NCF1ADRB2ADRB1SMN1; SMN2
SCHEMBL6082072 0.86 POLB (0.42) L3MBTL1LMNAMEN1KMT2A
SCHEMBL6082955 0.86 GAA (0.36) GAAKDM4EALDH1A1
SCHEMBL6082285 0.86 GAA (0.42) GAAKDM4EALDH1A1
SCHEMBL6081888 0.83 MALT1 (0.41) NCF1ADRB2SMN1; SMN2KMT2ARAB9A
SCHEMBL6082145 0.83 L3MBTL1 (0.38) L3MBTL1NCF1SMN1; SMN2LMNAMEN1
SCHEMBL6083005 0.83 CD38 (0.41) MEN1KMT2AALDH1A1
SCHEMBL6081552 0.83 NCF1 (0.43) L3MBTL1NCF1ADRB2ADRB1SMN1; SMN2
SCHEMBL4240199 0.82 L3MBTL1 (0.43) L3MBTL1NCF1ADRB2ADRB1SMN1; SMN2
SCHEMBL6082756 0.81 KDM4E (0.49) L3MBTL1NCF1LMNAMEN1KMT2A

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-7078414-B2 Derivatives of 3-guanidinocarbonyl-1-heteroaryl-pyrrole, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-18 US claimed
US-20040266775-A1 Derivatives of 3-guanidinocarbonyl-1-heteroaryl-pyrrole, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-30 US claimed
US-7078414-B2 Derivatives of 3-guanidinocarbonyl-1-heteroaryl-pyrrole, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-18 US disclosed
US-20040266775-A1 Derivatives of 3-guanidinocarbonyl-1-heteroaryl-pyrrole, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-30 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-20040266775-A1 Derivatives of 3-guanidinocarbonyl-1-heteroaryl-pyrrole, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them GPBAR1, ADRB3, ADRA1A L3MBTL1 4749/4885NCF1 3289/4885ADRB2 13/4885

“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.