SCHEMBL610280

SCHEMBL610280

CCN1CCC(c2ccc(Nc3cc(Cl)nn(C)c3=O)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 8/20 0.41
CDK4 P11802 8/20 0.41
CCND3 P30281 6/20 0.41
CDK2 P24941 4/20 0.41
CDK5 Q00535 1/20 0.41
CSF1R P07333 1/20 0.40
FLT3 P36888 1/20 0.40
CCND1 P24385 6/20 0.40
CDK1 P06493 4/20 0.40
CCNA2 P20248 4/20 0.40
CCNE2 O96020 3/20 0.40
PIM1 P11309 1/20 0.40
CCNE1 P24864 1/20 0.40
BTK Q06187 2/20 0.38
FASN P49327 1/20 0.38
SYK P43405 2/20 0.38
LYN P07948 2/20 0.37
SRC P12931 2/20 0.37
DRD2 P14416 1/20 0.37
TYK2 P29597 1/20 0.37

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
SCHEMBL609068 0.90 CDK4 (0.45) CDK6CDK4CCND3CDK2CDK5
SCHEMBL626336 0.86 TYK2 (0.39) CDK6CDK4CCND3CSF1RCCND1
SCHEMBL612065 0.86 CCND1 (0.40) CDK6CDK4CDK2CDK5CSF1R
SCHEMBL611366 0.86 CDK6 (0.41) CDK6CDK4CCND3CDK2CCND1
SCHEMBL610863 0.86 CDK6 (0.41) CDK6CDK4CCND3CDK2CCND1
SCHEMBL607847 0.86 CDK6 (0.41) CDK6CDK4CCND3CDK2CCND1
SCHEMBL610903 0.85 FASN (0.43) CDK4CCND1BTKFASNSYK
SCHEMBL610397 0.85 FASN (0.43) CDK6CDK4CSF1RCCND1FASN
SCHEMBL608363 0.85 DDB1 (0.46) CDK6CDK4CCND3CDK2CSF1R
SCHEMBL10201931 0.84 CCND1 (0.37) CDK6CDK4CCND3CSF1RCCND1

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 18 patents. 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
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
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
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 US disclosed
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 US disclosed
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 US 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-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
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-20150210704-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CDK6 179/4885CDK4 449/4885CCND3 1188/4885
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN CDK6 166/4885CDK4 211/4885CCND3 969/4885
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CDK6 152/4885CDK4 424/4885CCND3 1109/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN CDK6 166/4885CDK4 211/4885CCND3 969/4885

“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.