SCHEMBL4096592

SCHEMBL4096592

COc1ccc(N2CCC(N(C)C)C2)cc1Nc1ncc(Br)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 9/20 0.78
ALK Q9UM73 7/20 0.60
EGFR P00533 3/20 0.60
IGF1R P08069 2/20 0.60
PLK1 P53350 2/20 0.60
CDC7 O00311 1/20 0.60
PLK4 O00444 1/20 0.60
CHEK1 O14757 1/20 0.60
AURKA O14965 1/20 0.60
DCLK1 O15075 1/20 0.60
PDPK1 O15530 1/20 0.60
DAPK3 O43293 1/20 0.60
JAK2 O60674 1/20 0.60
ROCK2 O75116 1/20 0.60
PRKD3 O94806 1/20 0.60
MAP4K4 O95819 1/20 0.60
PAK4 O96013 1/20 0.60
CHEK2 O96017 1/20 0.60
ERBB2 P04626 1/20 0.60
NTRK1 P04629 1/20 0.60

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
SCHEMBL4099025 0.92 EGFR (0.71) ZAP70ALKEGFRIGF1RPLK1
SCHEMBL5361563 0.89 ZAP70 (0.61) ZAP70ALKEGFRIGF1RPLK1
SCHEMBL4089370 0.89 ALK (0.68) ZAP70ALKEGFRIGF1RPLK1
SCHEMBL4093702 0.88 ALK (0.70) ZAP70ALKEGFRIGF1RPLK1
SCHEMBL4094630 0.87 ZAP70 (1.00) ZAP70ALKEGFRIGF1RPLK1
SCHEMBL4104541 0.87 ZAP70 (1.00) ZAP70ALKEGFRIGF1RPLK1
SCHEMBL4094617 0.87 ZAP70 (1.00) ZAP70ALKEGFRIGF1RPLK1
SCHEMBL4100115 0.87 ALK (0.63) ZAP70ALKEGFRIGF1RPLK1
SCHEMBL4089503 0.86 ALK (0.70) ZAP70ALKEGFRIGF1RPLK1
SCHEMBL4095865 0.86 ULK1 (0.74) ZAP70ALKEGFRIGF1RPLK1

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 1678/4885ALK 2060/4885EGFR 3112/4885

“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.