SCHEMBL4096101

SCHEMBL4096101

CNC(=O)c1cc(N2CCN(C)CC2)ccc1Nc1nc(Cl)ncc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.54
ALK Q9UM73 7/20 0.52
INSR P06213 5/20 0.52
IGF1R P08069 5/20 0.52
MAPK8 P45983 2/20 0.52
MAPK9 P45984 2/20 0.52
MAPK10 P53779 2/20 0.52
PTK2 Q05397 2/20 0.52
PTK2B Q14289 2/20 0.52
MET P08581 2/20 0.52
CDC7 O00311 1/20 0.52
PLK4 O00444 1/20 0.52
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52
DCLK1 O15075 1/20 0.52
PDPK1 O15530 1/20 0.52
DAPK3 O43293 1/20 0.52
DYRK3 O43781 1/20 0.52
JAK2 O60674 1/20 0.52
PRKD3 O94806 1/20 0.52

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
SCHEMBL13849428 0.91 EGFR (0.53) EGFRALKINSRIGF1RMAPK8
SCHEMBL12312041 0.90 EGFR (0.59) EGFRALKINSRIGF1RMAPK8
SCHEMBL12571178 0.88 EGFR (0.51) EGFRALKINSRIGF1RMAPK8
SCHEMBL4099977 0.88 ALK (0.53) EGFRALKINSRIGF1RMAPK8
SCHEMBL1559161 0.84 MAPK9 (0.51) EGFRALKINSRIGF1RMAPK8
SCHEMBL4093651 0.84 INSR (0.52) EGFRALKINSRIGF1RMAPK8
SCHEMBL5243263 0.84 ALK (0.51) EGFRALKINSRIGF1RMAPK8
SCHEMBL12413670 0.83 MAPK10 (0.56) EGFRALKINSRIGF1RMAPK8
SCHEMBL375536 0.82 ALK (0.53) EGFRALKINSRIGF1RMAPK8
SCHEMBL4104371 0.82 ALK (0.53) EGFRALKINSRIGF1RMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 WO 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-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS EGFR 3112/4885ALK 2060/4885INSR 2047/4885

“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.