SCHEMBL611366

SCHEMBL611366

CN1CC[C@@H](c2ccc(Nc3cc(Cl)nn(C)c3=O)nc2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 9/20 0.41
CDK4 P11802 5/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
CCND1 P24385 6/20 0.41
BTK Q06187 3/20 0.40
FASN P49327 1/20 0.37
KAT2B Q92831 1/20 0.37
TYK2 P29597 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CHEK1 O14757 1/20 0.35
CCND3 P30281 4/20 0.35
CDK1 P06493 1/20 0.35
CCNE2 O96020 1/20 0.35

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
SCHEMBL610863 1.00 CDK6 (0.41) CDK6CDK4CCNA2CDK2CCND1
SCHEMBL607847 1.00 CDK6 (0.41) CDK6CDK4CCNA2CDK2CCND1
SCHEMBL609068 0.94 CDK4 (0.45) CDK6CDK4CCNA2CDK2CCND1
SCHEMBL627707 0.88 TYK2 (0.36) CDK6CDK4CCNA2CDK2CCND1
SCHEMBL612205 0.87 FASN (0.40) CDK4CCND1BTKFASN
SCHEMBL612065 0.86 CCND1 (0.40) CDK6CDK4CCNA2CDK2CCND1
SCHEMBL610280 0.86 CDK6 (0.41) CDK6CDK4CCNA2CDK2CCND1
SCHEMBL626336 0.86 TYK2 (0.39) CDK6CDK4CCND1BTKFASN
SCHEMBL610903 0.85 FASN (0.43) CDK4CCND1BTKFASNKCNH2
SCHEMBL610397 0.85 FASN (0.43) CDK6CDK4CCND1FASNTYK2

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-9499548-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2016-11-22 US disclosed
US-20150210704-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
EP-2895473-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2015-07-22 EP disclosed
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
WO-2014040965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 WO disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
EP-2603500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 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 (3 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-20150210704-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CDK6 179/4885CDK4 449/4885CCNA2 750/4885
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN CDK6 166/4885CDK4 211/4885CCNA2 833/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CDK6 166/4885CDK4 211/4885CCNA2 833/4885

“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.