SCHEMBL5440221

SCHEMBL5440221

O=S(=O)(c1ccc(Nc2ncc(C=Cc3ccc(-c4cn[nH]c4)cc3)cn2)cc1)N1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.51
CHUK O15111 19/20 0.51

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
SCHEMBL5440220 1.00 IKBKB (0.51) IKBKBCHUK
SCHEMBL14490597 0.91 CCNE1 (0.44) IKBKBCHUK
SCHEMBL5442162 0.86 IKBKB (0.52) IKBKBCHUK
SCHEMBL5442156 0.86 IKBKB (0.52) IKBKBCHUK
SCHEMBL5436720 0.81 IKBKB (0.57) IKBKBCHUK
SCHEMBL5436724 0.81 IKBKB (0.57) IKBKBCHUK
SCHEMBL14490343 0.79 IKBKB (0.47) IKBKBCHUK
SCHEMBL14538111 0.78 F13A1 (0.55) IKBKBCHUK
SCHEMBL14538311 0.78 IKBKB (0.49) IKBKBCHUK
SCHEMBL14538315 0.76 IKBKB (0.47) IKBKBCHUK

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-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 32/4885

“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.