SCHEMBL13896563

SCHEMBL13896563

Sc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)nc3[nH]ncc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.58
EGFR P00533 3/20 0.53
CDC7 O00311 1/20 0.53
HTR2C P28335 4/20 0.52
KDR P35968 5/20 0.49
PAK4 O96013 3/20 0.48
PLK4 O00444 1/20 0.48
HTR2A P28223 5/20 0.47
WEE1 P30291 3/20 0.46
ALK Q9UM73 3/20 0.46
AURKA O14965 2/20 0.46
DAPK3 O43293 2/20 0.46
JAK2 O60674 2/20 0.46
PRKD3 O94806 2/20 0.46
MAP4K4 O95819 2/20 0.46
NTRK1 P04629 2/20 0.46
LCK P06239 2/20 0.46
FYN P06241 2/20 0.46
CSF1R P07333 2/20 0.46
RET P07949 2/20 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
SCHEMBL13896209 0.92 MKNK1 (0.67) MKNK1EGFRCDC7HTR2CKDR
SCHEMBL13896565 0.85 PLK4 (0.61) EGFRHTR2CPAK4PLK4HTR2A
SCHEMBL13896210 0.84 EGFR (0.68) MKNK1EGFRCDC7HTR2CKDR
SCHEMBL4267261 0.83 KDR (0.64) MKNK1EGFRCDC7HTR2CKDR
SCHEMBL3582538 0.78 ULK1 (0.66) PAK4AURKAULK1
SCHEMBL4259513 0.77 EGFR (0.49) MKNK1EGFRCDC7HTR2CKDR
SCHEMBL3579380 0.75 ULK1 (0.62) CDC7HTR2CKDRPAK4HTR2A
SCHEMBL13896564 0.75 PLK4 (0.52) MKNK1HTR2CPAK4PLK4HTR2A
SCHEMBL13079395 0.75 HTR2A (0.63) HTR2CPAK4PLK4HTR2AJAK3
SCHEMBL3590277 0.74 NPY5R (0.67) KDRPAK4ULK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314234-B2 Bicyclic pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-11-20 US disclosed
US-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 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-20090076037-A1 BICYCLIC PYRIMIDINE KINASE INHIBITORS DCK, CDK2, DTYMK MKNK1 135/4885EGFR 1356/4885CDC7 30/4885

“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.