SCHEMBL5445574

SCHEMBL5445574

O=S(=O)(CCCN1CCCC1)c1ccc(Nc2ncc(C=Cc3cccc4[nH]ncc34)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.43
ABL1 P00519 4/20 0.38
PDGFRB P09619 2/20 0.38
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
CLK2 P49760 2/20 0.37
CLK3 P49761 2/20 0.37
DYRK1A Q13627 2/20 0.37
EPHX2 P34913 1/20 0.35
LOX P28300 1/20 0.35
PIK3CA P42336 1/20 0.34
GAA P10253 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
YES1 P07947 1/20 0.33
EPHB4 P54760 1/20 0.33

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
SCHEMBL5445567 1.00 SRC (0.43) SRCABL1PDGFRBCDK4CDK2
SCHEMBL5443809 0.88 SRC (0.44) SRCABL1PDGFRBCDK4CDK2
SCHEMBL5443806 0.88 SRC (0.44) SRCABL1PDGFRBCDK4CDK2
SCHEMBL5438644 0.87 SRC (0.46) SRCABL1PDGFRBYES1EPHB4
SCHEMBL5438649 0.87 SRC (0.46) SRCABL1PDGFRBYES1EPHB4
SCHEMBL5433540 0.82 SRC (0.38) SRCABL1CDK4CDK2EPHX2
SCHEMBL5433544 0.82 SRC (0.38) SRCABL1CDK4CDK2EPHX2
SCHEMBL5442216 0.79 IKBKB (0.44) SRCABL1
SCHEMBL5442212 0.79 IKBKB (0.44) SRCABL1
SCHEMBL5442204 0.79 CA12 (0.44) SRCABL1

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 SRC 71/4885ABL1 1/4885PDGFRB 78/4885

“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.