SCHEMBL2033920

SCHEMBL2033920

CCc1c(C(=O)C(=O)O)c2ccccc2n1CCCN1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR7 P34969 2/20 0.48
ABCB1 P08183 2/20 0.47
DRD3 P35462 1/20 0.47
CNR2 P34972 3/20 0.46
MPO P05164 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL2001294 0.83 KDM4E (0.49) KMT2AHTR7CNR2
SCHEMBL1993318 0.82 CNR2 (0.55) CNR2
SCHEMBL1998148 0.77 HTR6 (0.46) MEN1KMT2ACNR2POLB
SCHEMBL4727961 0.77 DRD3 (0.69) MEN1KMT2AHTR7ABCB1DRD3
SCHEMBL4685271 0.76 EGFR (0.49)
SCHEMBL13305298 0.74 DRD3 (0.65) HTR7ABCB1DRD3CNR2POLB
SCHEMBL18010411 0.72 HTR7 (0.63) HTR7ABCB1DRD3CNR2POLB
SCHEMBL8451044 0.71 USP14 (0.51) MEN1KMT2ACNR2POLB
SCHEMBL4728847 0.71 CNR2 (0.57) MEN1KMT2AHTR7ABCB1DRD3
SCHEMBL18919185 0.70 ABCB1 (0.48) MEN1KMT2AHTR7ABCB1DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-2513089-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT Johannes Gutenberg-Universität Mainz (DE) 2012-10-24 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 MEN1 2151/4885KMT2A 954/4885HTR7 642/4885
US-20130131060-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT IDH3A, INMT, IDH1 MEN1 259/4885KMT2A 442/4885HTR7 1328/4885

“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.