SCHEMBL9954914

SCHEMBL9954914

COc1cc(C2=C(c3cn(CCCNC(=O)C(N)CO)c4ccccc34)C(=O)NC2=O)cc(OC)c1OC

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.87
KDR P35968 11/20 0.73
FLT3 P36888 8/20 0.73
QPCT Q16769 1/20 0.51
PLK4 O00444 1/20 0.50
AURKA O14965 1/20 0.50
NUAK1 O60285 1/20 0.50
PDGFRB P09619 1/20 0.50
FLT4 P35916 1/20 0.50
TEK Q02763 1/20 0.50
CAMK2D Q13557 3/20 0.49

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
SCHEMBL18655372 0.95 GSK3B (0.80) GSK3BKDRFLT3QPCTPLK4
SCHEMBL10069744 0.93 GSK3B (1.00) GSK3BKDRFLT3QPCTPLK4
SCHEMBL18655375 0.92 GSK3B (0.79) GSK3BKDRFLT3QPCTPLK4
SCHEMBL18655336 0.88 GSK3B (0.86) GSK3BKDRFLT3QPCTPLK4
SCHEMBL10070111 0.86 GSK3B (0.68) GSK3BKDRFLT3QPCTPLK4
SCHEMBL18628480 0.86 GSK3B (0.68) GSK3BKDRFLT3QPCTPLK4
SCHEMBL8540158 0.85 PIM1 (0.65) GSK3BCAMK2D
SCHEMBL9955401 0.85 GSK3B (1.00) GSK3BKDRFLT3QPCT
SCHEMBL18655376 0.84 GSK3B (0.76) GSK3BKDRFLT3QPCTPLK4
SCHEMBL12507153 0.83 KDR (1.00) GSK3BKDRFLT3CAMK2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655359-B1 CONJUGATED 3-(INDOLYL)- AND 3-(AZAINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT Johannes-Gutenberg-Universität Mainz (DE) 2017-03-22 EP disclosed
EP-2655359-B1 CONJUGATED 3-(INDOLYL)- AND 3-(AZAINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT Johannes-Gutenberg-Universität Mainz (DE) 2017-03-22 EP disclosed
US-8957103-B2 Conjugated 3-(indolyl)- and 3-(azaindolyl)-4-arylmaleimide compounds and their use in tumor treatment Johannes Gutenberg—Universitat Mainz (DE) 2015-02-17 US disclosed
US-8957103-B2 Conjugated 3-(indolyl)- and 3-(azaindolyl)-4-arylmaleimide compounds and their use in tumor treatment Johannes Gutenberg—Universitat Mainz (DE) 2015-02-17 US disclosed
US-20130345281-A1 CONJUGATED 3-(INDOLYL)- AND 3-(AZAINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT JOHANNES GUTENBERG-UNIVERSITAT MAINZ (DE) 2013-12-26 US disclosed
EP-2655359-A1 CONJUGATED 3-(INDOLYL)- AND 3-(AZAINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT Johannes-Gutenberg-Universität Mainz (DE) 2013-10-30 EP disclosed
EP-2474541-A1 Conjugated 3-(indolyl)- and 3-(azaindolyl)-4-arylmaleimide compounds and their use in tumor treatment Johannes- Gutenberg-Universität Mainz (DE) 2012-07-11 EP disclosed
EP-2474541-A1 Conjugated 3-(indolyl)- and 3-(azaindolyl)-4-arylmaleimide compounds and their use in tumor treatment Johannes- Gutenberg-Universität Mainz (DE) 2012-07-11 EP disclosed
WO-2012084683-A1 CONJUGATED 3-(INDOLYL)- AND 3-(AZAINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT Johannes Gutenberg-Universität Mainz (DE) 2012-06-28 WO disclosed
WO-2012084683-A1 CONJUGATED 3-(INDOLYL)- AND 3-(AZAINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT Johannes Gutenberg-Universität Mainz (DE) 2012-06-28 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-20130345281-A1 CONJUGATED 3-(INDOLYL)- AND 3-(AZAINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT IDH3A, IDH1, INMT GSK3B 3094/4885KDR 861/4885FLT3 997/4885

“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.