SCHEMBL4477598

SCHEMBL4477598

CC(C)(C)OC(=O)N1CCC(c2cc(N)sn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.47
GPR119 Q8TDV5 7/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
DPP4 P27487 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
SCHEMBL5450834 0.93 KDM4E (0.47) KDM4EMAPTTHRBALDH1A1HPGD
SCHEMBL21245644 0.81 KDM4E (0.54) KDM4EMAPTTHRBALDH1A1HPGD
SCHEMBL3060679 0.79 KDM4E (0.48) KDM4EMAPTTHRBALDH1A1HPGD
SCHEMBL1493280 0.79 HTT (0.54) KDM4EMAPTTHRBALDH1A1HPGD
SCHEMBL15283360 0.78 KDM4E (0.51) KDM4EMAPTTHRBALDH1A1HPGD
SCHEMBL28812142 0.78 GPR119 (0.50) KDM4EMAPTTHRBHTTGPR119
SCHEMBL17580484 0.77 KDM4E (0.50) KDM4EMAPTTHRBALDH1A1HPGD
SCHEMBL30926528 0.77 KDM4E (0.46) KDM4EMAPTTHRBHPGDHTT
SCHEMBL15174527 0.77 TRPC6 (0.58) KDM4EMAPTTHRBHTTGPR119
SCHEMBL15175760 0.77 GPR119 (0.54) KDM4EMAPTTHRBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 EP disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO disclosed
US-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 US disclosed
US-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 US disclosed
US-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 US disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 US disclosed
WO-2007044401-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 WO disclosed
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 US disclosed
US-20060040958-A1 Antiproliferative agents; anticancer agents; antiinflammatroy agents; Alzheimer's disease; viricides; fungicides SCHERING CORPORATION 2006-02-23 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-20060040958-A1 Antiproliferative agents; anticancer agents; antiinflammatroy agents; Alzheimer's disease; viricides; fungicides CDK5, CDKN1A, CDK3 KDM4E 340/4885MAPT 197/4885THRB 4550/4885
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK KDM4E 1469/4885MAPT 4203/4885THRB 1418/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 KDM4E 679/4885MAPT 3188/4885THRB 3890/4885
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A KDM4E 857/4885MAPT 1927/4885THRB 3492/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK KDM4E 1469/4885MAPT 4203/4885THRB 1418/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 KDM4E 1262/4885MAPT 2249/4885THRB 3280/4885

“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.