SCHEMBL2013170

SCHEMBL2013170

CCOC(=O)C(=O)c1cn(CCNC(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.57
CREBBP Q92793 1/20 0.48
LMNA P02545 1/20 0.46
CAMK2D Q13557 2/20 0.45
CNR1 P21554 3/20 0.44
CNR2 P34972 1/20 0.43
NR4A2 P43354 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1993275 0.94 CYP19A1 (0.58) CYP19A1CREBBPLMNACAMK2DCNR1
SCHEMBL29324305 0.84 CNR1 (0.48) CREBBPLMNACAMK2DCNR1CNR2
SCHEMBL14333263 0.82 CNR1 (0.58) CYP19A1CREBBPLMNACAMK2DCNR1
SCHEMBL9354163 0.80 CAMK2D (0.49) LMNACAMK2DCNR1CNR2NR4A2
SCHEMBL29324307 0.80 LMNA (0.53) LMNACAMK2DCNR2
SCHEMBL29443972 0.78 MAPT (0.45) CREBBPLMNACAMK2DL3MBTL1
SCHEMBL2033409 0.77 CNR2 (0.60) CYP19A1CREBBPLMNACNR1CNR2
SCHEMBL14486724 0.76 CAMK2D (0.54) CAMK2DCNR1CNR2NR4A2
SCHEMBL1995045 0.76 CYP19A1 (0.51) CYP19A1CREBBPLMNACNR1
SCHEMBL28840703 0.76 CNR1 (0.69) CYP19A1CREBBPLMNACNR1POLB

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 8 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-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

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 CYP19A1 643/4885CREBBP 3376/4885LMNA 3284/4885
US-20130131060-A1 3-(INDOLYL)- OR 3-(AZAINDOLYL)- 4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT IDH3A, INMT, IDH1 CYP19A1 350/4885CREBBP 3320/4885LMNA 3123/4885

“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.