SCHEMBL4089499

SCHEMBL4089499

CN[C@@H]1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)NC(C)C)n3)c(OC)c2)C1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 9/20 0.85
EGFR P00533 5/20 0.68
ALK Q9UM73 8/20 0.63
INSR P06213 3/20 0.62
IGF1R P08069 3/20 0.62
BMPR1B O00238 1/20 0.62
PLK4 O00444 1/20 0.62
STK25 O00506 1/20 0.62
RIOK3 O14730 1/20 0.62
CHEK1 O14757 1/20 0.62
CASK O14936 1/20 0.62
AURKA O14965 1/20 0.62
GAK O14976 1/20 0.62
DCLK1 O15075 1/20 0.62
MUSK O15146 1/20 0.62
EPHB6 O15197 1/20 0.62
PDPK1 O15530 1/20 0.62
MAP3K13 O43283 1/20 0.62
DAPK3 O43293 1/20 0.62
MAP3K7 O43318 1/20 0.62

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
SCHEMBL4089357 1.00 ZAP70 (0.85) ZAP70EGFRALKINSRIGF1R
SCHEMBL4089349 1.00 ZAP70 (0.85) ZAP70EGFRALKINSRIGF1R
SCHEMBL4103129 0.92 ZAP70 (1.00) ZAP70EGFRALKINSRIGF1R
SCHEMBL4088493 0.92 ZAP70 (1.00) ZAP70EGFRALKINSRIGF1R
SCHEMBL4088481 0.92 ZAP70 (1.00) ZAP70EGFRALKINSRIGF1R
SCHEMBL4104541 0.89 ZAP70 (1.00) ZAP70EGFRALKINSRIGF1R
SCHEMBL4094630 0.89 ZAP70 (1.00) ZAP70EGFRALKINSRIGF1R
SCHEMBL4094617 0.89 ZAP70 (1.00) ZAP70EGFRALKINSRIGF1R
SCHEMBL381092 0.88 ZAP70 (0.67) ZAP70EGFRALKMETCDK2
SCHEMBL12781141 0.87 ZAP70 (0.91) ZAP70EGFRALKINSRIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US claimed
EP-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP claimed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 WO claimed
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 ZAP70 1678/4885EGFR 3112/4885ALK 2060/4885

“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.