SCHEMBL3759158

SCHEMBL3759158

COc1ccc(S(C)(=O)=O)cc1Nc1nccc(-c2c(Cl)nc3ccccn23)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.51
CDK4 P11802 3/20 0.49
LRRK2 Q5S007 3/20 0.47
AURKA O14965 2/20 0.47
ABL1 P00519 2/20 0.47
LCK P06239 2/20 0.47
FGFR1 P11362 2/20 0.47
KDR P35968 2/20 0.47
FLT3 P36888 2/20 0.47
AURKB Q96GD4 2/20 0.47
MAP4K4 O95819 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47
FLT1 P17948 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK9 P50750 1/20 0.47
CDK5 Q00535 1/20 0.47

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
SCHEMBL3762013 0.85 CDK2 (0.62) CDK2CDK4LRRK2AURKAKDR
SCHEMBL3757034 0.83 CDK2 (0.66) CDK2CDK4AURKAAURKBMAPK8
SCHEMBL3761753 0.83 CDK2 (0.52) CDK2CDK4LRRK2ABL1CCNE1
SCHEMBL3767176 0.83 CDK2 (0.62) CDK2CDK4LRRK2AURKAABL1
SCHEMBL3761151 0.82 CDK2 (0.56) CDK2CDK4CCNE1EGFRERBB2
SCHEMBL3767568 0.81 CDK19 (0.51) AURKAABL1LCKFGFR1KDR
SCHEMBL3771416 0.81 IGF1R (0.46) AURKAABL1LCKFGFR1KDR
SCHEMBL3762802 0.80 ALK (0.53) CDK2CDK4LRRK2ABL1LCK
SCHEMBL3761576 0.80 IGF1R (0.51) CDK2LCKFGFR1KDRFLT3
SCHEMBL3761539 0.80 IGF1R (0.63) CDK2LRRK2FLT3EGFRERBB2

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-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20100305118-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 21/4885LRRK2 608/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 CDK2 3/4885CDK4 33/4885LRRK2 484/4885

“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.