SCHEMBL612448

SCHEMBL612448

Clc1nnc2ccc(NC3CCOCC3)nn12

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 9/20 0.64
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KCNH2 Q12809 1/20 0.58
PIM1 P11309 6/20 0.55
FYN P06241 5/20 0.53
MKNK1 Q9BUB5 1/20 0.53

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
SCHEMBL3727537 0.90 MALT1 (0.76) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL2763440 0.86 MALT1 (0.67) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL3719743 0.83 MALT1 (0.67) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL3719746 0.83 MALT1 (0.67) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL12368974 0.74 MET (0.49) PIM1FYNMKNK1
SCHEMBL1049252 0.74 FYN (0.65) MALT1KCNH2PIM1FYNMKNK1
SCHEMBL24441137 0.74 MALT1 (1.00) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL24441136 0.74 MALT1 (1.00) MALT1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL1055876 0.74 FYN (0.79) KCNH2PIM1FYNMKNK1
SCHEMBL1052401 0.72 PIM1 (0.67) KCNH2PIM1FYNMKNK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040987-A1 DERIVATIVES OF 6-(6-NH-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI (FR) 2012-02-16 US disclosed
EP-2393792-A1 DERIVATIVES OF 6-(6-NH-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI (FR) 2011-12-14 EP disclosed
WO-2010089508-A1 DERIVATIVES OF 6-(6-NH-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI-AVENTIS (FR) 2010-08-12 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-20120040987-A1 DERIVATIVES OF 6-(6-NH-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) BENZOTHIAZOLES AND BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS MET, NR1I2, NCOR2 MALT1 2394/4885CYP3A4 127/4885CYP2C9 152/4885

“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.