SCHEMBL3755334

SCHEMBL3755334

CN(C)CCc1cccc(Nc2nccc(-c3c(Cl)nc4ccccn34)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK19 Q9BWU1 3/20 0.70
ALK Q9UM73 2/20 0.70
CDK2 P24941 9/20 0.59
CDK4 P11802 4/20 0.53
CCNE1 P24864 2/20 0.53
IGF1R P08069 7/20 0.52
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52
PTK2 Q05397 1/20 0.52
CDK1 P06493 2/20 0.47
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
PRKD3 O94806 1/20 0.46
LCK P06239 1/20 0.46
CSF1R P07333 1/20 0.46
ROS1 P08922 1/20 0.46
KIT P10721 1/20 0.46
FGFR1 P11362 1/20 0.46
SRC P12931 1/20 0.46
FLT1 P17948 1/20 0.46

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
SCHEMBL3762499 0.90 CDK19 (0.63) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3767668 0.85 CDK19 (0.81) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3766513 0.84 CDK2 (0.55) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3756694 0.84 IGF1R (0.66) CDK19ALKIGF1REGFRERBB2
SCHEMBL3762802 0.84 ALK (0.53) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3764976 0.83 CDK19 (0.76) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3759857 0.82 CDK19 (0.72) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3716630 0.82 CDK19 (0.87) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3755319 0.81 CDK2 (0.57) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3721829 0.81 CDK19 (0.86) 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 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 CDK19 53/4885ALK 534/4885CDK2 2/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 CDK19 69/4885ALK 701/4885CDK2 3/4885

“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.