SCHEMBL9948494

SCHEMBL9948494

O=C(CN1CCN(C2CC2)CC1)Nc1nc2c(Sc3nnc4ccc(OC5CCOC5)nn34)c(F)ccc2s1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.47
CYP3A4 P08684 10/20 0.47
CLK1 P49759 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3722617 0.87 MET (0.50) METCYP3A4CLK1KMT2AALDH1A1
SCHEMBL3720726 0.83 MET (0.49) METCYP3A4CLK1ALDH1A1MAPT
SCHEMBL3719811 0.79 MET (0.52) METCYP3A4CLK1ALDH1A1MAPT
SCHEMBL3721710 0.74 MET (0.51) METCYP3A4CLK1MEN1KMT2A
SCHEMBL3721407 0.72 MET (0.53) METCYP3A4CLK1ALDH1A1
SCHEMBL3728956 0.70 MET (0.66) METCYP3A4CLK1ALDH1A1
SCHEMBL2552212 0.70 MET (0.55) METCYP3A4CLK1HTT
SCHEMBL2553079 0.69 MET (0.57) METCYP3A4
SCHEMBL2554254 0.68 MET (0.55) METCYP3A4
SCHEMBL2554825 0.67 MET (0.56) METCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165326-A1 DERIVATIVES OF 6-(6-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) 5-FLUORO BENZOTHIAZOLES AND 5-FLUORO BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS SANOFI (FR) 2012-06-28 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-20120165326-A1 DERIVATIVES OF 6-(6-SUBSTITUTED-TRIAZOLOPYRIDAZINE-SULFANYL) 5-FLUORO BENZOTHIAZOLES AND 5-FLUORO BENZIMIDAZOLES, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND USE THEREOF AS MET INHIBITORS MET, NR4A1, NR1I3 MET 1/4885CYP3A4 42/4885CLK1 1420/4885

“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.