SCHEMBL5436720

SCHEMBL5436720

NS(=O)(=O)c1ccc(/C=C/c2cnc(Nc3ccc(S(=O)(=O)N4CCCNCC4)cc3)nc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 14/20 0.57
CHUK O15111 14/20 0.57
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
ABL1 P00519 2/20 0.49
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5436724 1.00 IKBKB (0.57) IKBKBCHUKCA2CA12ABL1
SCHEMBL5444017 0.90 IKBKB (0.51) IKBKBCHUKCA2CA12ABL1
SCHEMBL5444012 0.90 IKBKB (0.51) IKBKBCHUKCA2CA12ABL1
SCHEMBL14490593 0.90 ALDH1A1 (0.51) IKBKBCHUKCA2CA12CA1
SCHEMBL14490151 0.82 ALDH1A1 (0.50) IKBKBCHUKCA2CA12ABL1
Hydrochloric Acid SCHEMBL5438691 0.81 ALDH1A1 (0.49) IKBKBCHUKCA2CA12ABL1
Hydrochloric Acid SCHEMBL5438683 0.81 ALDH1A1 (0.49) IKBKBCHUKCA2CA12ABL1
SCHEMBL5440220 0.81 IKBKB (0.51) IKBKBCHUK
SCHEMBL5440221 0.81 IKBKB (0.51) IKBKBCHUK
SCHEMBL5445596 0.80 CA12 (0.44) IKBKBCHUKCA2CA12ABL1

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-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
WO-2007056075-A2 SIX MEMBERED HETEROAROMATIC INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 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-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR IKBKB 204/4885CHUK 32/4885CA2 4647/4885

“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.