SCHEMBL530402

SCHEMBL530402

CN(C)C[C@H]1CC[C@H](N)CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.37
ALOX5 P09917 1/20 0.34

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
SCHEMBL529130 1.00 BRD4 (0.37) BRD4ALOX5
SCHEMBL12714638 1.00 BRD4 (0.37) BRD4ALOX5
Hydrochloric Acid SCHEMBL15191411 0.97 BRD4 (0.36) BRD4ALOX5
Hydrochloric Acid SCHEMBL15191371 0.97 BRD4 (0.36) BRD4ALOX5
Hydrochloric Acid SCHEMBL529660 0.97 BRD4 (0.36) BRD4ALOX5
Hydrochloric Acid SCHEMBL15191068 0.97 BRD4 (0.36) BRD4ALOX5
Acetic Acid SCHEMBL528980 0.87 ALOX5 (0.41) BRD4ALOX5
Acetic Acid SCHEMBL15190863 0.87 ALOX5 (0.41) BRD4ALOX5
SCHEMBL16369219 0.86 BRD4 (0.37) BRD4ALOX5
SCHEMBL659645 0.86 ALOX5 (0.36) ALOX5

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464273-B9 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-10-21 EP claimed
EP-3464273-B1 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-04-08 EP claimed
US-10544138-B2 Tricyclic kinase inhibitors of MELK and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-01-28 US disclosed
US-20190084977-A1 TRICYCLIC KINASE INHIBITORS OF MELK ANDS METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-03-21 US disclosed
US-10023558-B2 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2018-07-17 US disclosed
CN-104968345-B 1, 5-naphthyridine derivatives and ME L K inhibitors containing 1, 5-naphthyridine derivatives 肿瘤疗法科学股份有限公司 2018-05-08 CN disclosed
US-20180009787-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2018-01-11 US disclosed
US-9802919-B1 Compounds CHIESI FARMACEUTICI S.P.A. (IT) 2017-10-31 US disclosed
EP-2753329-B1 1,5-NAPHTHYRIDINE DERIVATIVES AS MELK INHIBITORS ONCOTHERAPY SCIENCE INC (JP) 2017-08-09 EP disclosed
US-9345709-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-05-24 US disclosed
US-9345709-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-05-24 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
EP-1727812-B1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INT (DE) 2008-12-31 EP disclosed
US-7262206-B2 Cycloalkyl—containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-28 US disclosed
EP-1727812-A1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS Boehringer Ingelheim International GmbH (DE) 2006-12-06 EP disclosed
WO-2005087761-A1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed
US-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US 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 (6 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-20190084977-A1 TRICYCLIC KINASE INHIBITORS OF MELK ANDS METHODS OF USE MELK, MKNK1, BMP2K BRD4 335/4885ALOX5 4703/4885
US-10023558-B2 Compounds SERPINB1, ELANE, MPO BRD4 1226/4885ALOX5 314/4885
US-20180009787-A1 NOVEL COMPOUNDS SERPINB1, ELANE, MPO BRD4 1216/4885ALOX5 496/4885
US-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3B, GSK3A, CSNK1G3 BRD4 1489/4885ALOX5 1363/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP BRD4 2137/4885ALOX5 3173/4885
US-10544138-B2 Tricyclic kinase inhibitors of MELK and methods of use MELK, MKNK1, BMP2K BRD4 313/4885ALOX5 4704/4885

“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.