SCHEMBL3758747

SCHEMBL3758747

OCCn1cc(Nc2nccc(-c3c(-c4ccc(OCc5ccccc5)cc4)nc4ccccn34)n2)cn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK19 Q9BWU1 2/20 0.54
ALK Q9UM73 2/20 0.54
CDK2 P24941 3/20 0.44
CDK4 P11802 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK1 P06493 1/20 0.43
IKBKE Q14164 2/20 0.43
TBK1 Q9UHD2 2/20 0.43
IGF1R P08069 6/20 0.42
INSR P06213 2/20 0.42
SYK P43405 1/20 0.42
JAK2 O60674 2/20 0.40
JAK1 P23458 2/20 0.40
JAK3 P52333 2/20 0.40
BTK Q06187 1/20 0.40
NR1I2 O75469 1/20 0.39
NR1I3 Q14994 1/20 0.39

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
SCHEMBL3760388 0.89 CDK19 (0.58) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3756888 0.88 CDK19 (0.46) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3716771 0.86 CDK19 (0.66) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3725893 0.82 CDK19 (0.59) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3760617 0.81 CDK19 (0.43) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3755303 0.80 CDK2 (0.52) CDK2CDK4CCNE1CDK1IKBKE
SCHEMBL3761154 0.80 IGF1R (0.44) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3761708 0.79 CDK19 (0.53) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3725891 0.79 CDK19 (0.56) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3719752 0.79 CDK19 (0.57) CDK19ALKCDK2CDK4CCNE1

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 claimed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US claimed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO claimed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 US claimed
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP 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
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 (1 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 CDK19 53/4885ALK 534/4885CDK2 2/4885

“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.