SCHEMBL609068

SCHEMBL609068

CN1CCC(c2ccc(Nc3cc(Cl)nn(C)c3=O)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.45
CCND1 P24385 7/20 0.45
CDK6 Q00534 11/20 0.44
FASN P49327 1/20 0.42
CHEK1 O14757 1/20 0.40
CCND3 P30281 8/20 0.40
CDK2 P24941 4/20 0.40
CCNE2 O96020 3/20 0.40
KCNH2 Q12809 1/20 0.40
CCNA2 P20248 4/20 0.39
CCNK O75909 1/20 0.39
CSF1R P07333 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39
CCNH P51946 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
BTK Q06187 2/20 0.39
TYK2 P29597 1/20 0.39
CDK1 P06493 3/20 0.39

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
SCHEMBL611366 0.94 CDK6 (0.41) CDK4CCND1CDK6FASNCHEK1
SCHEMBL607847 0.94 CDK6 (0.41) CDK4CCND1CDK6FASNCHEK1
SCHEMBL610863 0.94 CDK6 (0.41) CDK4CCND1CDK6FASNCHEK1
SCHEMBL610280 0.90 CDK6 (0.41) CDK4CCND1CDK6FASNCCND3
SCHEMBL612065 0.90 CCND1 (0.40) CDK4CCND1CDK6FASNCHEK1
SCHEMBL626336 0.90 TYK2 (0.39) CDK4CCND1CDK6FASNCCND3
SCHEMBL610397 0.89 FASN (0.43) CDK4CCND1CDK6FASNCSF1R
SCHEMBL610903 0.89 FASN (0.43) CDK4CCND1FASNKCNH2BTK
SCHEMBL608363 0.88 DDB1 (0.46) CDK4CCND1CDK6CHEK1CCND3
SCHEMBL10201931 0.88 CCND1 (0.37) CDK4CCND1CDK6FASNCCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744804-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2744804-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2925323-B1 AN INHIBITOR OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2925323-B1 AN INHIBITOR OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-9499548-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2016-11-22 US disclosed
US-20150290192-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
US-20150290192-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
US-20150290192-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 US disclosed
EP-2925323-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2015-10-07 EP disclosed
US-20150210704-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
WO-2013024078-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 WO disclosed
WO-2013024078-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 WO disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 US disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 US disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 US disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO 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
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US 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 (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-20150290192-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, ABL1 CDK4 573/4885CCND1 4108/4885CDK6 360/4885
US-20150210704-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CDK4 449/4885CCND1 798/4885CDK6 179/4885
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN CDK4 211/4885CCND1 879/4885CDK6 166/4885
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CDK4 424/4885CCND1 771/4885CDK6 152/4885

“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.