SCHEMBL1998148

SCHEMBL1998148

CCc1c(C(=O)C(=O)O)c2ccccc2n1CCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 3/20 0.46
CYP1A2 P05177 1/20 0.46
TOP2A P11388 1/20 0.44
EGFR P00533 2/20 0.44
PLA2G2A P14555 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
PTGER4 P35408 1/20 0.42
SRC P12931 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CNR2 P34972 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
SCHEMBL4685271 0.80 EGFR (0.49) ALDH1A1EGFRSRCATMHTT
SCHEMBL2001294 0.79 KDM4E (0.49) ALDH1A1KDM4EHPGDPTGER4KMT2A
SCHEMBL1993318 0.78 CNR2 (0.55) CNR2
SCHEMBL2033920 0.77 MEN1 (0.50) POLBMEN1KMT2ACNR2
SCHEMBL8451044 0.75 USP14 (0.51) ALDH1A1POLBCYP1A2PLA2G2AKDM4E
Fumaric Acid SCHEMBL23927875 0.73 HTR7 (0.55) HTR6ALDH1A1POLBCYP1A2TOP2A
Fumaric Acid SCHEMBL29435342 0.73 HTR7 (0.55) HTR6ALDH1A1POLBCYP1A2TOP2A
SCHEMBL11826363 0.73 CYP2D6 (0.59) HTR6ALDH1A1POLBCYP1A2TOP2A
SCHEMBL729021 0.72 ALDH1A1 (0.56) ALDH1A1POLBCYP1A2KDM4EHPGD
SCHEMBL10704467 0.70 ALDH1A1 (0.59) HTR6ALDH1A1POLBCYP1A2TOP2A

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
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
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

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 HTR6 348/4885ALDH1A1 94/4885POLB 3943/4885
US-20130131060-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT IDH3A, INMT, IDH1 HTR6 1037/4885ALDH1A1 116/4885POLB 3704/4885

“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.