SCHEMBL3767972

SCHEMBL3767972

O=c1[nH]cccc1Nc1nccc(-c2c(-c3ccc4[nH]c(Cc5ccccc5)nc4c3)nc3ccccn23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK19 Q9BWU1 3/20 0.41
ALK Q9UM73 2/20 0.41
CDK2 P24941 2/20 0.41
IGF1R P08069 12/20 0.40
CDK4 P11802 1/20 0.40
CCNE1 P24864 1/20 0.40
EGFR P00533 3/20 0.40
ERBB2 P04626 3/20 0.40
CSF1R P07333 3/20 0.39
KDR P35968 3/20 0.39
RET P07949 2/20 0.39
FLT1 P17948 2/20 0.39
MAP4K2 Q12851 2/20 0.39
STK3 Q13188 2/20 0.39
MAP4K5 Q9Y4K4 2/20 0.39
INSR P06213 2/20 0.39
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 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
SCHEMBL3769673 0.87 CDK2 (0.54) CDK19ALKCDK2IGF1RCDK4
SCHEMBL3761808 0.85 IGF1R (0.45) CDK19ALKCDK2IGF1RCDK4
SCHEMBL3759726 0.84 CDK2 (0.48) CDK19ALKCDK2IGF1RCDK4
SCHEMBL3766452 0.81 IGF1R (0.48) CDK19ALKCDK2IGF1RCDK4
SCHEMBL3760617 0.80 CDK19 (0.43) CDK19ALKCDK2IGF1RCDK4
SCHEMBL3719496 0.80 IGF1R (0.46) CDK19ALKCDK2IGF1RCDK4
SCHEMBL3719751 0.79 IGF1R (0.46) IGF1REGFRERBB2INSR
SCHEMBL3769651 0.79 IGF1R (0.56) CDK19ALKCDK2IGF1RCDK4
SCHEMBL3762829 0.78 IGF1R (0.44) CDK19ALKIGF1REGFRERBB2
SCHEMBL3761148 0.77 CDK19 (0.44) CDK19ALKCDK2IGF1RCDK4

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-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP claimed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US claimed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO claimed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 US claimed
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
WO-2010138575-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

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-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.