SCHEMBL9955401

SCHEMBL9955401

COc1cc(C2=C(c3cn(CCCO)c4ccccc34)C(=O)NC2=O)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 1.00
KDR P35968 10/20 1.00
FLT3 P36888 7/20 1.00
QPCT Q16769 1/20 0.60
CDK4 P11802 1/20 0.60
PRKACA P17612 1/20 0.60
PRKACG P22612 1/20 0.60
PRKACB P22694 1/20 0.60
CCND1 P24385 1/20 0.60

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
SCHEMBL12607875 0.94 KDR (1.00) GSK3BKDRFLT3QPCTCDK4
SCHEMBL12507153 0.90 KDR (1.00) GSK3BKDRFLT3
SCHEMBL12507154 0.89 KDR (0.85) GSK3BKDRFLT3QPCTCDK4
SCHEMBL12607357 0.89 GSK3B (1.00) GSK3BKDRFLT3
SCHEMBL12506833 0.89 FLT3 (1.00) GSK3BKDRFLT3CDK4PRKACA
SCHEMBL17067823 0.88 GSK3B (0.78) GSK3BKDRFLT3QPCTPRKACA
SCHEMBL19090336 0.88 GSK3B (0.78) GSK3BKDRFLT3QPCT
SCHEMBL12506836 0.86 GSK3B (1.00) GSK3BKDRFLT3QPCTPRKACA
SCHEMBL14671146 0.86 GSK3B (1.00) GSK3BKDRFLT3QPCT
SCHEMBL9954914 0.85 GSK3B (0.87) GSK3BKDRFLT3QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11045449-B2 3-(5-fluoroindolyl)-4-arylmaleimide compounds and their use in tumor treatment Johannes Gutenberg-Universität Mainz (DE) 2021-06-29 US disclosed
US-20200253930-A1 3-(5-Fluoroindolyl)-4-arylmaleimide Compounds and their Use in Tumor Treatment UNIVERSITATSMEDIZIN DER JOHANNES GUTENBERG-UNIVERSITAT MAINZ (DE) 2020-08-13 US disclosed
EP-3397632-B1 3-(5-FLUOROINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT UNIV MAINZ JOHANNES GUTENBERG (DE) 2020-06-24 EP disclosed
WO-2017114863-A1 3-(5-FLUOROINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT Johannes Gutenberg-Universität Mainz (DE) 2017-07-06 WO 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-9364459-B2 3-(indolyl)- or 3-(azaindolyl)- 4-arylmaleimide derivatives for use in the treatment of colon and gastric adenocarcinoma Johannes Gutenberg-Universität Mainz (DE) 2016-06-14 US disclosed
EP-2512469-B1 3-(INDOLYL)-OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE DERIVATIVES FOR USE IN THE TREATMENT OF COLON AND GASTRIC ADENOCARZINOMA JOHANNES GUTENBERG UNIVERSITÄT MAINZ (DE) 2016-03-02 EP disclosed
EP-2513089-B1 3-(INDOLYL)- OR 3-(AZAINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT JOHANNES GUTENBERG UNIVERSITÄT MAINZ (DE) 2015-09-09 EP disclosed
US-9012659-B2 3-(indolyl)- or 3-(azaindolyl)-4-arylmaleimide compounds and their use in tumor treatment Johannes Gutenberg—Universitat Mainz (DE) 2015-04-21 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
US-20130131060-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT Johannes Gutenberg-Universität Mainz (DE) 2013-05-23 US disclosed
US-20130029986-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE DERIVATIVES FOR USE IN THE TREATMENT OF COLON AND GASTRIC ADENOCARZINOMA UNIVERSITATSMEDIZIN DER JOHANNES GUTENBERG-UNIVERSITAT MAINZ (DE) 2013-01-31 US 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
EP-2343291-A1 3-(Indolyl)- or 3-(Azaindolyl)-4-arylmaleimide compounds and their use in tumor treatment Johannes Gutenberg-Universität Mainz (DE) 2011-07-13 EP disclosed
EP-2338486-A1 3-(indolyl)- or 3-(azaindolyl)-4-arylmaleimide derivatives for use in the treatment of colon and gastric adenocarcinoma Johannes Gutenberg-Universität Mainz (DE) 2011-06-29 EP disclosed
WO-2011073092-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT Johannes Gutenberg-Universität Mainz (DE) 2011-06-23 WO disclosed
WO-2011073091-A1 3-(INDOLYL)-OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE DERIVATIVES FOR USE IN THE TREATMENT OF COLON AND GASTRIC ADENOCARZINOMA Johannes Gutenberg-Universität Mainz (DE) 2011-06-23 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 (5 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-20130029986-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE DERIVATIVES FOR USE IN THE TREATMENT OF COLON AND GASTRIC ADENOCARZINOMA SI, AADAC, INMT GSK3B 1739/4885KDR 3330/4885FLT3 3961/4885
US-20200253930-A1 3-(5-Fluoroindolyl)-4-arylmaleimide Compounds and their Use in Tumor Treatment FLT4, GSK3B, FLT1 GSK3B 2/4885KDR 5/4885FLT3 6/4885
US-20130131060-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT IDH3A, INMT, IDH1 GSK3B 3234/4885KDR 1067/4885FLT3 431/4885
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
US-11045449-B2 3-(5-fluoroindolyl)-4-arylmaleimide compounds and their use in tumor treatment FLT4, GSK3B, FLT1 GSK3B 2/4885KDR 5/4885FLT3 6/4885

“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.