SCHEMBL4159891

SCHEMBL4159891

NC(=O)c1cccc(-c2cncc(NCC3CCCN3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.46
KCNH2 Q12809 3/20 0.46
AURKB Q96GD4 3/20 0.46
MAPK1 P28482 2/20 0.46
MAPK3 P27361 1/20 0.46
CHEK1 O14757 3/20 0.44
FYN P06241 2/20 0.42
CCNT1 O60563 1/20 0.42
CCND1 P24385 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
MNAT1 P51948 1/20 0.42
CDK6 Q00534 1/20 0.42
CYP11B2 P19099 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL4142869 0.83 FYN (0.49) KCNH2FYNCCNT1CCND1CCNC
SCHEMBL4148071 0.78 CHRNB4 (0.43) SYKKCNH2AURKBMAPK1MAPK3
SCHEMBL4152220 0.78 PRKCI (0.47) CHRNB2CHRNA4GSK3B
SCHEMBL4155055 0.72 FYN (0.53) SYKAURKBMAPK1CHEK1FYN
SCHEMBL4140030 0.72 FYN (0.53) SYKAURKBMAPK1CHEK1FYN
SCHEMBL4153724 0.71 MAP4K4 (0.49) SYKAURKBMAPK1CHEK1FYN
SCHEMBL4143243 0.71 FYN (0.57) SYKAURKBMAPK1CHEK1FYN
SCHEMBL4143026 0.71 MKNK1 (0.50) FYNAURKARPS6KB1PIM1CDK2
SCHEMBL4187491 0.70 XDH (0.57) SYKAURKBMAPK1CHEK1FYN
SCHEMBL4155314 0.70 VNN1 (0.55) SYKAURKBMAPK1CHEK1FYN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes BIOFOCUS DISCOVERY LTD. 2009-06-25 US disclosed
WO-2006072792-A2 COMPOUNDS WHICH BIND TO THE ACTIVE SITE OF PROTEIN KINASE ENZYMES GALAPAGOS NV (BE) 2006-07-13 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-20090163515-A1 Compounds Which Bind to the Active Site of Protein Kinase Enzymes ROCK1, ROCK2, CIT SYK 441/4885KCNH2 2003/4885AURKB 397/4885

“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.