SCHEMBL12779155

SCHEMBL12779155

CC(C)(C)OC(=O)NN=C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 7/20 0.56
RAB9A P51151 1/20 0.56
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RECQL P46063 1/20 0.41
OGG1 O15527 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL182243 1.00 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4ERAB9ARXFP1
SCHEMBL573354 0.98 ALDH1A1 (0.63) ALDH1A1KMT2AKDM4ERAB9ARXFP1
SCHEMBL272269 0.95 ALDH1A1 (0.63) ALDH1A1KMT2AKDM4ERAB9ARXFP1
SCHEMBL6694683 0.90 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4ERAB9ARXFP1
SCHEMBL16121924 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4ERAB9AMEN1
SCHEMBL23782301 0.83 KDM4E (0.54) ALDH1A1KMT2AKDM4ERAB9AGAA
SCHEMBL26177824 0.83 KDM4E (0.54) ALDH1A1KMT2AKDM4ERAB9AGAA
SCHEMBL23782299 0.83 KDM4E (0.54) ALDH1A1KMT2AKDM4ERAB9AGAA
SCHEMBL2672312 0.83 KMT2A (0.58) ALDH1A1KMT2AKDM4ERAB9AMEN1
SCHEMBL3490122 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AKDM4ERAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation Sanford Burnham Prebys Medical Discovery Institute (US) 2019-04-30 US disclosed
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation Sanford Burnham Prebys Medical Discovery Institute (US) 2019-04-30 US disclosed
US-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation Sanford Burnham Prebys Medical Discovery Institute 2018-07-26 US disclosed
US-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation Sanford Burnham Prebys Medical Discovery Institute 2018-07-26 US disclosed
US-9926299-B2 Inhibitors of bruton's tyrosine kinase CENTAURUS BIOPHARMA CO., LTD. (CN) 2018-03-27 US disclosed
US-9926299-B2 Inhibitors of bruton's tyrosine kinase CENTAURUS BIOPHARMA CO., LTD. (CN) 2018-03-27 US disclosed
US-9926299-B2 Inhibitors of bruton's tyrosine kinase CENTAURUS BIOPHARMA CO., LTD. (CN) 2018-03-27 US disclosed
WO-2016123392-A2 PYRAZOLOPYRIMIDINES AS INHIBITORS OF GLUCOCORTICOID RECEPTOR TRANSLOCATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-08-04 WO disclosed
WO-2016123392-A2 PYRAZOLOPYRIMIDINES AS INHIBITORS OF GLUCOCORTICOID RECEPTOR TRANSLOCATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2016-08-04 WO disclosed
US-20150299171-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CENTAURUS BIOPHARMA CO., LTD. (CN) 2015-10-22 US disclosed
US-20150299171-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CENTAURUS BIOPHARMA CO., LTD. (CN) 2015-10-22 US disclosed
US-20150299171-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CENTAURUS BIOPHARMA CO., LTD. (CN) 2015-10-22 US disclosed
EP-2925740-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE Centaurus Biopharma Co., Ltd. (CN) 2015-10-07 EP disclosed
WO-2014082598-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-06-05 WO disclosed
WO-2014082598-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CENTAURUS BIOPHARMA CO., LTD. (CN) 2014-06-05 WO disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 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 (4 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-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation NR3C1, NR3C2, GRK3 ALDH1A1 3369/4885KMT2A 3251/4885KDM4E 3498/4885
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 ALDH1A1 1266/4885KMT2A 3404/4885KDM4E 3148/4885
US-20150299171-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN ALDH1A1 4268/4885KMT2A 1692/4885KDM4E 517/4885
US-10272074-B2 Inhibitors of glucocorticoid receptor translocation NR3C1, NR3C2, GRK3 ALDH1A1 3958/4885KMT2A 3527/4885KDM4E 3499/4885

“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.