SCHEMBL3757034

SCHEMBL3757034

CS(=O)(=O)c1ccc(Nc2nccc(-c3c(Cl)nc4ccccn34)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.66
CDK4 P11802 7/20 0.66
CCNE1 P24864 4/20 0.59
IGF1R P08069 1/20 0.55
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
CDK1 P06493 4/20 0.49
CCNT1 O60563 1/20 0.48
CCNB1 P14635 1/20 0.48
CSNK2A2 P19784 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 0.48
CCND3 P30281 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CDK7 P50613 1/20 0.48

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
SCHEMBL3767176 0.89 CDK2 (0.62) CDK2CDK4CCNE1IGF1RAURKA
SCHEMBL3760568 0.86 CDK2 (0.74) CDK2CDK4CCNE1IGF1RAURKA
SCHEMBL3760761 0.84 CDK2 (0.66) CDK2CDK4CCNE1IGF1RCDK1
SCHEMBL3759158 0.83 CDK2 (0.51) CDK2CDK4CCNE1IGF1RAURKA
SCHEMBL27556467 0.81 CDK2 (0.81) CDK2CDK4CCNE1IGF1RAURKA
SCHEMBL3759854 0.81 CDK2 (0.59) CDK2CDK4CCNE1IGF1RAURKA
SCHEMBL3762499 0.79 CDK19 (0.63) CDK2CDK4CCNE1IGF1RCDK1
SCHEMBL3756899 0.79 CDK2 (0.57) CDK2CDK4CCNE1IGF1RAURKB
SCHEMBL12996153 0.79 CDK2 (0.58) CDK2CDK4CCNE1AURKBCDK1
SCHEMBL3760297 0.78 CDK2 (0.59) CDK2CDK4CCNE1IGF1RAURKB

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-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 21/4885CCNE1 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.