SCHEMBL6082264

SCHEMBL6082264

Cc1cn(-c2cccc3ncccc23)cc1C(=O)NC(=N)N

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.44
MALT1 Q9UDY8 11/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2C P28335 1/20 0.38
SLC9A2 Q9UBY0 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NSD2 O96028 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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 SCHEMBL6082306 0.99 SLC9A1 (0.44) SLC9A1MALT1MEN1KMT2AHTR2C
SCHEMBL6081888 0.92 MALT1 (0.41) SLC9A1MALT1KMT2AHTR2CALDH1A1
SCHEMBL15072233 0.82 MALT1 (0.41) MALT1MEN1KMT2AHTR2CALDH1A1
SCHEMBL6312790 0.82 SLC9A1 (0.44) SLC9A1MALT1MEN1KMT2AHTR2C
SCHEMBL6083025 0.81 SLC9A1 (0.46) SLC9A1MALT1MEN1KMT2AHTR2C
SCHEMBL6082715 0.81 RET (0.36) MALT1ALDH1A1SMN1; SMN2
SCHEMBL6082885 0.81 TLR8 (0.37) MALT1MEN1KMT2A
Hydrochloric Acid SCHEMBL6312192 0.81 SLC9A1 (0.43) SLC9A1MALT1MEN1KMT2AHTR2C
SCHEMBL6082191 0.81 BTK (0.36) MALT1HTR2C
SCHEMBL6082925 0.81 KDM4E (0.46) SLC9A1MALT1MEN1KMT2A

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 5 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
WO-2004007478-A2 DERIVATIVES OF 3-GUANIDINOCARBONYL-1-HETEROARYL-PYRROLE, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE 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-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 SLC9A1 4412/4885MALT1 1215/4885MEN1 2647/4885

“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.