SCHEMBL1363678

SCHEMBL1363678

Nc1ccccc1-c1cnc2[nH]cc(C(=O)c3cccc(O)c3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.50
KIT P10721 2/20 0.48
AXL P30530 6/20 0.47
CDK2 P24941 2/20 0.47
GSK3B P49841 2/20 0.47
DYRK1A Q13627 2/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
MAPK13 O15264 1/20 0.47
PDPK1 O15530 1/20 0.47
DYRK3 O43781 1/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
PRKD3 O94806 1/20 0.47
PAK4 O96013 1/20 0.47
CHEK2 O96017 1/20 0.47
ABL1 P00519 1/20 0.47
EGFR P00533 1/20 0.47

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
SCHEMBL857422 0.85 AXL (0.61) AAK1AXLCDK2GSK3BDYRK1A
SCHEMBL856998 0.84 KIT (0.57) AAK1KITAXLCDK2GSK3B
SCHEMBL858627 0.82 AAK1 (0.56) AAK1AXLCDK2GSK3BDYRK1A
SCHEMBL1516774 0.81 AAK1 (0.66) AAK1AXLCDK2GSK3BDYRK1A
SCHEMBL857618 0.81 AAK1 (0.52) AAK1KITAXLCDK2GSK3B
SCHEMBL857642 0.80 AXL (0.62) AAK1AXLCDK2GSK3BDYRK1A
SCHEMBL857604 0.80 NEK1 (0.57) AAK1AXLDYRK1ANTRK1BRD4
SCHEMBL857771 0.79 AAK1 (0.48) AAK1AXLCDK2GSK3BDYRK1A
SCHEMBL856914 0.78 BRAF (0.46) AAK1AXLCDK2GSK3BDYRK1A
SCHEMBL414672 0.77 MAPK13 (0.51) AAK1KITAXLCDK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067434-B2 Compounds and methods for development of Ret modulators PLEXXIKON INC. (US) 2011-11-29 US disclosed
US-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 US disclosed
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US disclosed
US-20070066641-A1 Compounds and methods for development of RET modulators PLEXXIKON, INC. 2007-03-22 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 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 (3 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-20100324065-A1 Compounds and methods for development of Ret Modulators RET, GFRA3, GFRA1 AAK1 2341/4885KIT 916/4885AXL 38/4885
US-20070066641-A1 Compounds and methods for development of RET modulators RET, FGFR1, FGFR3 AAK1 1435/4885KIT 707/4885AXL 21/4885
US-20070049615-A1 Compounds and methods for development of Ret modulators RET, GFRA1, GFRA3 AAK1 2699/4885KIT 1139/4885AXL 73/4885

“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.