SCHEMBL4088534

SCHEMBL4088534

COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N2CCNCC2)n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.80
ALK Q9UM73 9/20 0.74
EGFR P00533 6/20 0.73
LRRK2 Q5S007 3/20 0.73
INSR P06213 4/20 0.71
IGF1R P08069 3/20 0.68
MAPK8 P45983 2/20 0.68
MAPK9 P45984 2/20 0.68
MAPK10 P53779 2/20 0.68
CDC7 O00311 1/20 0.68
PLK4 O00444 1/20 0.68
CHEK1 O14757 1/20 0.68
AURKA O14965 1/20 0.68
DCLK1 O15075 1/20 0.68
PDPK1 O15530 1/20 0.68
DAPK3 O43293 1/20 0.68
DYRK3 O43781 1/20 0.68
JAK2 O60674 1/20 0.68
PRKD3 O94806 1/20 0.68
PAK4 O96013 1/20 0.68

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
SCHEMBL13850482 0.93 ZAP70 (0.68) ZAP70ALKEGFRLRRK2INSR
SCHEMBL4100170 0.92 ZAP70 (0.81) ZAP70ALKEGFRLRRK2INSR
SCHEMBL12780145 0.88 ZAP70 (0.85) ZAP70ALKEGFRLRRK2INSR
SCHEMBL12780629 0.87 ZAP70 (0.84) ZAP70ALKEGFRLRRK2INSR
SCHEMBL382124 0.86 ALK (0.81) ZAP70ALKEGFRINSRIGF1R
SCHEMBL4099380 0.85 ZAP70 (0.81) ZAP70ALKEGFRLRRK2INSR
SCHEMBL12311887 0.85 ZAP70 (0.70) ZAP70ALKEGFRLRRK2INSR
SCHEMBL11916636 0.85 ALK (0.75) ZAP70ALKEGFRLRRK2INSR
SCHEMBL1460537 0.84 EGFR (1.00) ZAP70ALKEGFRLRRK2INSR
SCHEMBL29429981 0.84 EGFR (1.00) ZAP70ALKEGFRLRRK2INSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US claimed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 US disclosed
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.