SCHEMBL6083005

SCHEMBL6083005

Cc1cc(-n2cc(C)c(C(=O)NC(=N)N)c2)c2cccc(F)c2n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD38 P28907 13/20 0.41
CYP3A4 P08684 3/20 0.37
KCNH2 Q12809 2/20 0.37
ADORA2A P29274 4/20 0.36
ADORA1 P30542 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
BLM P54132 1/20 0.35
GRM2 Q14416 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
SCHEMBL6082191 0.86 BTK (0.36) ADORA2AADORA1
SCHEMBL6082440 0.84 CD38 (0.39) CD38CYP3A4KCNH2ADORA2AADORA1
SCHEMBL6083689 0.83 L3MBTL1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL4243769 0.82 CD38 (0.40) CD38CYP3A4KCNH2ADORA2AADORA1
SCHEMBL6082955 0.81 GAA (0.36) ALDH1A1
SCHEMBL6082285 0.81 GAA (0.42) ALDH1A1
Trifluoroacetic Acid SCHEMBL6082140 0.80 L3MBTL1 (0.39) MEN1KMT2A
SCHEMBL6082339 0.77 CDK8 (0.36)
SCHEMBL6082072 0.77 POLB (0.42) CD38MEN1KMT2A
SCHEMBL6081996 0.75 PIK3R2 (0.43) MEN1KMT2AALDH1A1

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 CD38 334/4885CYP3A4 58/4885KCNH2 2282/4885

“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.