SCHEMBL544405

SCHEMBL544405

O=C(NCCN1CCOCC1)Nc1nc2ccc(OS(=O)(=O)c3c(F)cc(F)cc3Br)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.52
MET P08581 12/20 0.49
CYP3A4 P08684 9/20 0.49
AURKB Q96GD4 2/20 0.49
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
CLK1 P49759 1/20 0.45

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
SCHEMBL544820 0.89 ABL1 (0.58) ABL1METCYP3A4AURKBKMT2A
SCHEMBL543401 0.86 ABL1 (0.58) ABL1METCYP3A4AURKBKMT2A
SCHEMBL544180 0.82 ABL1 (0.56) ABL1METCYP3A4AURKBKMT2A
SCHEMBL543975 0.82 ABL1 (0.60) ABL1METCYP3A4AURKBKMT2A
SCHEMBL543775 0.81 ABL1 (0.53) ABL1METCYP3A4AURKBKMT2A
SCHEMBL544112 0.81 ABL1 (0.52) ABL1METCYP3A4AURKBKMT2A
SCHEMBL3098660 0.79 ABL1 (0.59) ABL1METCYP3A4AURKBKMT2A
SCHEMBL544033 0.78 GHSR (0.52) ABL1METCYP3A4KMT2AALDH1A1
SCHEMBL3104483 0.78 ABL1 (0.60) ABL1METCYP3A4AURKBKMT2A
SCHEMBL543982 0.78 GHSR (0.51) ABL1METKMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110571-B2 Tyrosine kinase inhibitors; antiproliferation agents; metabolism diseases; antiallergens; central nervous system disorders; vision and skin disorders; antiarthritic agents AVENTIS PHARMA S.A. (FR) 2012-02-07 US disclosed
US-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors AVENTIS PHARMA S.A. (FR) 2008-08-14 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-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors MET, KIT, MERTK ABL1 6/4885MET 1/4885CYP3A4 32/4885

“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.