SCHEMBL5442201

SCHEMBL5442201

O=S(=O)(c1ccc(Nc2ncc(/C=C/c3cccc4[nH]ncc34)cn2)cc1)N1CCCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
ABL1 P00519 2/20 0.44
CA2 P00918 2/20 0.44
NAMPT P43490 1/20 0.44
IKBKB O14920 15/20 0.42
CHUK O15111 15/20 0.42
SRC P12931 1/20 0.40
MEN1 O00255 1/20 0.39
CIT O14578 1/20 0.39
DAPK3 O43293 1/20 0.39
ROCK2 O75116 1/20 0.39
RPS6KA5 O75582 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
LATS1 O95835 1/20 0.39
CHEK2 O96017 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PGR P06401 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL5442204 1.00 CA12 (0.44) CA12ABL1CA2NAMPTIKBKB
SCHEMBL5442212 0.97 IKBKB (0.44) CA12ABL1CA2NAMPTIKBKB
SCHEMBL5442216 0.97 IKBKB (0.44) CA12ABL1CA2NAMPTIKBKB
SCHEMBL5445596 0.88 CA12 (0.44) CA12ABL1CA2NAMPTIKBKB
SCHEMBL5445592 0.88 CA12 (0.44) CA12ABL1CA2NAMPTIKBKB
SCHEMBL5445672 0.86 NAMPT (0.41) ABL1NAMPTSRCCDK7CDK9
SCHEMBL5445675 0.86 NAMPT (0.41) ABL1NAMPTSRCCDK7CDK9
SCHEMBL5446183 0.85 IKBKB (0.44) CA12ABL1CA2IKBKBCHUK
SCHEMBL5446188 0.85 IKBKB (0.44) CA12ABL1CA2IKBKBCHUK
SCHEMBL5443844 0.84 WEE1 (0.38) PRKD3PRKCGPRKCBCYP3A4ADORA3

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 CA12 4807/4885ABL1 1/4885CA2 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.