SCHEMBL5445596

SCHEMBL5445596

O=S(=O)(c1ccc(Nc2ncc(C=Cc3cccc4[nH]ccc34)cn2)cc1)N1CCCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
ABL1 P00519 1/20 0.44
CA2 P00918 1/20 0.44
NAMPT P43490 1/20 0.44
PRKCQ Q04759 7/20 0.43
PRKCD Q05655 7/20 0.43
ROCK2 O75116 2/20 0.42
ULK1 O75385 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PARP1 P09874 1/20 0.42
CCL2 P13500 1/20 0.42
HPGD P15428 1/20 0.42
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
CLK1 P49759 1/20 0.42
KCNH2 Q12809 1/20 0.42
ROCK1 Q13464 1/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42

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
SCHEMBL5445592 1.00 CA12 (0.44) CA12ABL1CA2NAMPTPRKCQ
SCHEMBL5446188 0.97 IKBKB (0.44) CA12ABL1CA2PRKCQPRKCD
SCHEMBL5446183 0.97 IKBKB (0.44) CA12ABL1CA2PRKCQPRKCD
SCHEMBL5442262 0.89 PRKCQ (0.45) PRKCQPRKCDIKBKBCHUKSRC
SCHEMBL5442265 0.89 PRKCQ (0.45) PRKCQPRKCDIKBKBCHUKSRC
SCHEMBL5442204 0.88 CA12 (0.44) CA12ABL1CA2NAMPTPRKCQ
SCHEMBL5442201 0.88 CA12 (0.44) CA12ABL1CA2NAMPTPRKCQ
SCHEMBL5442125 0.86 PRKCQ (0.42) NAMPTPRKCQPRKCDIKBKBCHUK
SCHEMBL5442129 0.86 PRKCQ (0.42) NAMPTPRKCQPRKCDIKBKBCHUK
SCHEMBL5442216 0.85 IKBKB (0.44) CA12ABL1CA2NAMPTIKBKB

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-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 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-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.