SCHEMBL6081996

SCHEMBL6081996

Cc1cn(-c2ccnc3c(Cl)cccc23)cc1C(=O)NC(=N)N

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 14/20 0.43
NR4A2 P43354 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HAVCR2 Q8TDQ0 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSP90AA1 P07900 1/20 0.34
L3MBTL1 Q9Y468 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 0.89 BTK (0.36) PIK3R2KDM4EHSP90AA1L3MBTL1
SCHEMBL6081888 0.83 MALT1 (0.41) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6083223 0.81 PIK3R2 (0.40) PIK3R2NR4A2KDM4EALDH1A1SMN1; SMN2
SCHEMBL6082264 0.80 SLC9A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6082112 0.80 CLK1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4240873 0.80 PIK3R2 (0.47) PIK3R2NR4A2
SCHEMBL6083534 0.80 JAK2 (0.38) NR4A2MEN1KMT2AL3MBTL1
SCHEMBL6082339 0.80 CDK8 (0.36) PIK3R2KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL6082306 0.79 SLC9A1 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6083001 0.77 MALT1 (0.43) ALDH1A1SMN1; SMN2

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 PIK3R2 2464/4885NR4A2 1901/4885KDM4E 1569/4885

“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.