SCHEMBL1994694

SCHEMBL1994694

CCOC(=O)C(=O)c1c[nH]c2ccc(F)cc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
KDM4E B2RXH2 1/20 0.51
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
TSHR P16473 1/20 0.48
GABRB1 P18505 1/20 0.47
GABRA3 P34903 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
SCHEMBL1557626 0.89 ALDH1A1 (0.47) ALDH1A1GABRA1GABRB2
SCHEMBL404920 0.86 LMNA (0.61) ALDH1A1KDM4ECDK4CCND1GABRA1
SCHEMBL30175047 0.86 ALDH1A1 (0.61) ALDH1A1KDM4EGABRA1GABRB2TSHR
SCHEMBL5313637 0.86 ALDH1A1 (0.61) ALDH1A1KDM4EGABRA1GABRB2TSHR
SCHEMBL6030723 0.85 KDM4E (0.55) ALDH1A1KDM4ECDK4CCND1TSHR
SCHEMBL404854 0.84 NR4A2 (0.60) GABRA1GABRB2GABRB1GABRA3
SCHEMBL1993247 0.84 GABRA1 (0.67) GABRA1GABRB2GABRB1GABRA3
SCHEMBL462496 0.83 NPSR1 (0.47) ALDH1A1GABRA1GABRB2GABRB1GABRA3
SCHEMBL13727294 0.83 LMNA (0.64) ALDH1A1KDM4EGABRA1GABRB2GABRB1
SCHEMBL368012 0.80 GABRA1 (0.58) ALDH1A1GABRA1GABRB2GABRA3

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 32 patents — showing the first 20. 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
EP-2125683-B1 3-BENZOFURANYL-4-INDOLYL-MALEIMIDES AS POTENT GSK-3 INHIBITORS FOR NEURODEGENERATIVE DISORDERS UNIV ILLINOIS (US) 2013-10-23 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-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-2512469-A1 3-(INDOLYL)-OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE DERIVATIVES FOR USE IN THE TREATMENT OF COLON AND GASTRIC ADENOCARZINOMA Johannes Gutenberg-Universität Mainz (DE) 2012-10-24 EP disclosed
US-8207216-B2 Benzofuran-3-yl(indol-3-yl) maleimides as potent GSK3 inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-06-26 US disclosed
EP-1680428-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2006-07-19 EP disclosed
EP-1673373-A2 INDOLE DERIVATIVES Salmedix, Inc. (US) 2006-06-28 EP disclosed
WO-2005033112-A2 SUBSTITUTED INDOLE DERIVATIVES CEPHALON, INC. (US) 2005-04-14 WO disclosed
WO-2005033113-A2 INDOLE DERIVATIVES CEPHALON, INC (US) 2005-04-14 WO disclosed
EP-0464604-B1 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines BRISTOL MYERS SQUIBB CO (US) 1995-03-29 EP disclosed
EP-0345808-B1 1-Indolylalkyl-4-(substituted-pyridinyl)piperazines BRISTOL MYERS SQUIBB CO (US) 1995-01-11 EP disclosed
EP-0464604-A2 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines Bristol-Myers Squibb Company (US) 1992-01-08 EP disclosed
US-5077293-A Antidepressants BRISTOL-MYERS SQUIBB CO. (US) 1991-12-31 US disclosed
US-4954502-A Antidepressants BRISTOL-MYERS SQUIBB COMPANY (US) 1990-09-04 US disclosed
EP-0345808-A1 1-Indolylalkyl-4-(substituted-pyridinyl)piperazines Bristol-Myers Squibb Company (US) 1989-12-13 EP 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 ALDH1A1 94/4885KDM4E 393/4885CDK4 257/4885
US-20130131060-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT IDH3A, INMT, IDH1 ALDH1A1 116/4885KDM4E 29/4885CDK4 267/4885

“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.