SCHEMBL3755303

SCHEMBL3755303

OCCn1cc(Nc2nccc(-c3c(Cl)nc4ccccn34)n2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.52
CDK4 P11802 4/20 0.50
CCNE1 P24864 4/20 0.50
HDAC3 O15379 2/20 0.44
CDK7 P50613 2/20 0.44
CDK9 P50750 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
IKBKE Q14164 2/20 0.44
TBK1 Q9UHD2 2/20 0.44
BTK Q06187 2/20 0.43
JAK2 O60674 3/20 0.43
JAK1 P23458 3/20 0.43
JAK3 P52333 2/20 0.43
TYK2 P29597 1/20 0.43
CDK1 P06493 1/20 0.42
FLT4 P35916 1/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
PRKD3 O94806 1/20 0.41

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
SCHEMBL3766961 0.88 CDK2 (0.52) CDK2CDK4CCNE1HDAC3CDK7
SCHEMBL3765120 0.87 CDK2 (0.48) CDK2CDK4CCNE1HDAC3CDK7
SCHEMBL3761671 0.87 CDK2 (0.48) CDK2CDK4CCNE1HDAC3CDK7
SCHEMBL3759876 0.86 IKBKE (0.49) CDK2CDK4CCNE1IKBKETBK1
SCHEMBL3760297 0.85 CDK2 (0.59) CDK2CDK4CCNE1JAK2JAK1
SCHEMBL3760568 0.80 CDK2 (0.74) CDK2CDK4CCNE1CDK1PLK4
SCHEMBL3758747 0.80 CDK19 (0.54) CDK2CDK4CCNE1IKBKETBK1
SCHEMBL3766749 0.78 CDK2 (0.53) CDK2CDK4CCNE1BTKJAK2
SCHEMBL3761154 0.77 IGF1R (0.44) CDK2CDK4CCNE1IKBKETBK1
SCHEMBL3760761 0.77 CDK2 (0.66) CDK2CDK4CCNE1CDK1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
EP-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP disclosed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 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-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 CDK2 2/4885CDK4 21/4885CCNE1 29/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 CDK2 3/4885CDK4 33/4885CCNE1 49/4885

“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.