SCHEMBL15528465

SCHEMBL15528465

O=C(O)Nc1cnn2c1CCC2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.40
NLRP3 Q96P20 1/20 0.38
CYP11B1 P15538 6/20 0.37
CYP11B2 P19099 6/20 0.37
SSTR4 P31391 1/20 0.36
CDK9 P50750 7/20 0.36
POLQ O75417 1/20 0.34
CCNT1 O60563 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
SCHEMBL17047832 0.95 NLRP3 (0.43) LRRK2NLRP3SSTR4CDK9POLQ
SCHEMBL12209161 0.85 LRRK2 (0.41) LRRK2NLRP3CYP11B1CYP11B2SSTR4
SCHEMBL12209156 0.81 LRRK2 (0.43) LRRK2NLRP3SSTR4CDK9CCNT1
SCHEMBL17054291 0.78 CDK9 (0.42) LRRK2NLRP3SSTR4CDK9
SCHEMBL3111541 0.73 CCNT1 (0.37) SSTR4CDK9CCNT1
SCHEMBL5124999 0.72 CYP11B1 (0.39) NLRP3CYP11B1CYP11B2SSTR4CDK9
SCHEMBL22050209 0.70 EPHX2 (0.51)
SCHEMBL1812696 0.69 HTR2A (0.44) NLRP3CYP11B1CYP11B2SSTR4CDK9
SCHEMBL16814051 0.69 NTRK1 (0.40) NLRP3CYP11B1CYP11B2SSTR4CDK9
SCHEMBL20207558 0.69 NTRK1 (0.40) NLRP3CYP11B1CYP11B2SSTR4CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2023-02-07 US disclosed
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2022-10-20 US disclosed
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase BIOGEN MA INC. (US) 2020-09-01 US disclosed
EP-3110818-B1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2019-10-23 EP disclosed
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2019-07-18 US disclosed
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-09 US disclosed
EP-2844658-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2019-03-20 EP disclosed
US-10081619-B2 Biaryl inhibitors of bruton's tyrosine kinase BIOGEN MA INC. (US) 2018-09-25 US disclosed
EP-3080103-B9 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-09-19 EP disclosed
EP-3357921-A2 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Sunesis Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-07-27 US disclosed
EP-3110818-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS The Regents of The University of Michigan (US) 2017-01-04 EP disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 US disclosed
EP-3080103-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Biogen MA Inc. (US) 2016-10-19 EP disclosed
US-9212186-B2 Bicyclic pyrazole LRRK2 small molecule inhibitors GENENTECH, INC. (US) 2015-12-15 US disclosed
WO-2015131005-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 WO disclosed
WO-2015089337-A1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN IDEC MA INC. (US) 2015-06-18 WO disclosed
EP-2844658-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE F. Hoffmann-La Roche AG (CH) 2015-03-11 EP disclosed
US-20150051201-A1 BICYCLIC PYRAZOLE LRRK2 SMALL MOLECULE INHIBITORS GENENTECH, INC. (US) 2015-02-19 US disclosed
WO-2013164323-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2013-11-07 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 (9 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-11572356-B2 Biaryl inhibitors of Bruton's tyrosine kinase ABL1, BTK, LYN LRRK2 228/4885NLRP3 4114/4885CYP11B1 1860/4885
US-10759783-B2 Biaryl inhibitors of Bruton'S tyrosine kinase ABL1, BTK, LYN LRRK2 228/4885NLRP3 4114/4885CYP11B1 1860/4885
US-10081619-B2 Biaryl inhibitors of bruton's tyrosine kinase ABL1, BTK, LYN LRRK2 228/4885NLRP3 4114/4885CYP11B1 1860/4885
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 LRRK2 563/4885NLRP3 3511/4885CYP11B1 1473/4885
US-20220332705-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN LRRK2 228/4885NLRP3 4114/4885CYP11B1 1860/4885
US-20190218204-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN LRRK2 228/4885NLRP3 4114/4885CYP11B1 1860/4885
US-20150051201-A1 BICYCLIC PYRAZOLE LRRK2 SMALL MOLECULE INHIBITORS LRRK2, PARK7, PINK1 LRRK2 1/4885NLRP3 199/4885CYP11B1 2562/4885
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN LRRK2 228/4885NLRP3 4114/4885CYP11B1 1860/4885
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors BRD4, BRD3, BRD1 LRRK2 563/4885NLRP3 3511/4885CYP11B1 1473/4885

“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.