SCHEMBL608637

SCHEMBL608637

CC(C)N1CCN(c2ccc(Nc3cc(Cl)nn(C)c3=O)nc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.47
WEE1 P30291 2/20 0.44
CDK4 P11802 5/20 0.43
CDK2 P24941 3/20 0.43
CCND1 P24385 3/20 0.43
CCNE1 P24864 2/20 0.43
CCND3 P30281 4/20 0.43
CDK9 P50750 4/20 0.43
CDK6 Q00534 4/20 0.43
CCNT1 O60563 1/20 0.43
TTK P33981 1/20 0.43
FLT3 P36888 1/20 0.43
CCNH P51946 1/20 0.43
NEK10 Q6ZWH5 1/20 0.43
ULK2 Q8IYT8 1/20 0.43
NUAK2 Q9H093 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CCNK O75909 3/20 0.41
BTK Q06187 1/20 0.40

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
SCHEMBL610952 0.89 WEE1 (0.51) WEE1CDK4CDK2CCND1CCNE1
SCHEMBL610867 0.85 CCNA2 (0.49) SYKWEE1CDK4CDK2CCND1
SCHEMBL10256584 0.85 CCND3 (0.48) CDK4CDK2CCND1CCNE1CCND3
SCHEMBL1394803 0.84 WEE1 (0.41) SYKWEE1CDK4CDK2CCND1
Hydrochloric Acid SCHEMBL1393269 0.84 CDK2 (0.47) CDK4CDK2CCND1CCNE1CCND3
SCHEMBL610905 0.83 SYK (0.43) SYKWEE1CDK4CDK2CCND1
SCHEMBL1393440 0.82 BTK (0.46) WEE1CDK4CDK2CCND3CDK6
SCHEMBL612065 0.82 CCND1 (0.40) CDK4CDK2CCND1CDK9CDK6
SCHEMBL10256308 0.80 WNT3A (0.48) CDK4CDK2CCND1CCND3CDK9
SCHEMBL15007588 0.80 SYK (0.55) SYKCDK4CDK2CCND1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN SYK 2/4885WEE1 1865/4885CDK4 211/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN SYK 2/4885WEE1 1865/4885CDK4 211/4885

“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.