SCHEMBL2824552

SCHEMBL2824552

CC(C)(C)CNC(=O)NCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
ADORA2A P29274 1/20 0.36
EPHX1 P07099 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
KDM4C Q9H3R0 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CACNA1H O95180 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NAMPT P43490 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
ALOX5 P09917 1/20 0.30
EPHX2 P34913 1/20 0.30
KCNT1 Q5JUK3 1/20 0.30

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
SCHEMBL9870399 0.89 ALDH1A1 (0.36) BCHEADORA2AEPHX1SMN1; SMN2KDM4C
SCHEMBL9278494 0.86 HSD17B10 (0.36) BCHEADORA2ASMN1; SMN2KDM4CHSD17B10
SCHEMBL19303889 0.86 BCHE (0.33) BCHEADORA2ASMN1; SMN2KDM4CHSD17B10
SCHEMBL21706216 0.85 SIGMAR1 (0.41) ADORA2AEPHX1KDM4CDRD2DRD3
SCHEMBL8070563 0.85 MEN1 (0.38) BCHEADORA2AEPHX1KDM4CDRD2
SCHEMBL14679316 0.85 EGLN1 (0.40) KDM4C
SCHEMBL2733557 0.84 NPC1 (0.44) BCHEEPHX1SMN1; SMN2KDM4CCACNA1H
SCHEMBL14011283 0.83 EPHX1 (0.48) EPHX1HSD17B10
SCHEMBL11148743 0.83 FAAH (0.37) BCHEADORA2AEPHX1KDM4CDRD2
SCHEMBL5540331 0.82 PRMT1 (0.47) KDM4CEPHX2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 US disclosed
US-9790229-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-10-17 US disclosed
US-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-12-29 US disclosed
US-9249146-B2 Bruton'S tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-02-02 US disclosed
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-10-16 US disclosed
US-8785440-B2 Bruton's tyrosine kinase inhibitors BIOGEN IDEC MA, INC. (US) 2014-07-22 US disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
EP-1279667-B1 PROCESS FOR PRODUCING 1,3-DIALKYL-2-IMIDAZOLIDINONE COMPOUND MITSUI CHEMICALS INC (JP) 2010-10-27 EP disclosed
US-6861534-B2 Process for producing 1,3-dialkyl-2-imidazolidinone compound MITSUI CHEMICALS, INC. (JP) 2005-03-01 US disclosed
EP-1279667-A1 PROCESS FOR PRODUCING 1,3-DIALKYL-2-IMIDAZOLIDINONE COMPOUND Mitsui Chemicals, Inc. (JP) 2003-01-29 EP disclosed
US-20030009035-A1 Process for producing 1,3-dialkyl-2-imidazolidinone compound MITSUI CHEMICALS, INC. (JP) 2003-01-09 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 (5 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-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK BCHE 2944/4885ADORA2A 4610/4885EPHX1 2553/4885
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK BCHE 2944/4885ADORA2A 4610/4885EPHX1 2553/4885
US-20030009035-A1 Process for producing 1,3-dialkyl-2-imidazolidinone compound PIGS, DEK, B2M BCHE 1645/4885ADORA2A 855/4885EPHX1 4090/4885
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK BCHE 2944/4885ADORA2A 4610/4885EPHX1 2553/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK BCHE 2944/4885ADORA2A 4610/4885EPHX1 2553/4885

“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.