SCHEMBL2033409

SCHEMBL2033409

CCOC(=O)C(=O)c1cn(CCN(C)C)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.60
CYP19A1 P11511 9/20 0.56
CREBBP Q92793 1/20 0.55
ALDH1A1 P00352 2/20 0.50
CNR1 P21554 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR6 P50406 3/20 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
SCHEMBL23927841 0.82 CNR2 (0.65) CNR2CREBBPALDH1A1CNR1HTR6
SCHEMBL28840703 0.82 CNR1 (0.69) CYP19A1CREBBPALDH1A1CNR1LMNA
SCHEMBL13013345 0.81 CNR2 (0.54) CNR2ALDH1A1CNR1LMNAPOLB
SCHEMBL4685270 0.80 NR4A2 (0.57) CYP19A1CREBBPALDH1A1LMNAPOLB
SCHEMBL7778088 0.80 CNR2 (0.70) CNR2CREBBPALDH1A1L3MBTL1HTR6
SCHEMBL2033037 0.80 CNR2 (0.67) CNR2CYP19A1CREBBPALDH1A1CNR1
SCHEMBL9353785 0.80 NR4A2 (0.68) CNR2ALDH1A1CNR1LMNAPOLB
Hydrochloric Acid SCHEMBL9354397 0.79 CNR2 (0.68) CNR2CREBBPALDH1A1POLBHTR6
SCHEMBL2043047 0.79 CNR2 (0.68) CNR2ALDH1A1CNR1
SCHEMBL2033917 0.78 CYP19A1 (0.57) CNR2CYP19A1CREBBPCNR1

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 CNR2 300/4885CYP19A1 643/4885CREBBP 3376/4885
US-20130131060-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT IDH3A, INMT, IDH1 CNR2 1283/4885CYP19A1 350/4885CREBBP 3320/4885

“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.