SCHEMBL4095995

SCHEMBL4095995

COc1ccc(C2CNCCO2)cc1Nc1ncc(Br)c(Nc2ccccc2S(=O)(=O)N(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 7/20 0.51
▸ EGFR P00533 4/20 0.51
▸ ZAP70 P43403 3/20 0.51
▸ ULK1 O75385 3/20 0.49
▸ IGF1R P08069 2/20 0.47
▸ CDC7 O00311 1/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ DCLK1 O15075 1/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ CHEK2 O96017 1/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ NTRK1 P04629 1/20 0.47

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
SCHEMBL12781900 0.81 ZAP70 (0.61) ALKEGFRZAP70ULK1IGF1R
SCHEMBL12780617 0.81 ZAP70 (0.68) ALKEGFRZAP70ULK1IGF1R
SCHEMBL4088361 0.79 ULK1 (0.72) ALKEGFRZAP70ULK1IGF1R
SCHEMBL29208829 0.77 ALK (0.61) ALKINSR
SCHEMBL12312367 0.76 ULK1 (0.81) ALKEGFRZAP70ULK1IGF1R
SCHEMBL4104341 0.75 ULK1 (0.55) ALKEGFRZAP70ULK1IGF1R
SCHEMBL28364826 0.74 EGFR (0.74) ALKEGFRMET
SCHEMBL4099223 0.73 ALK (0.77) ALKEGFRZAP70ULK1IGF1R
SCHEMBL29208841 0.73 EGFR (0.54) ALKEGFRULK1AXL
SCHEMBL28420032 0.72 ALK (0.54) ALK

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

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

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 ALK 2060/4885EGFR 3112/4885ZAP70 1678/4885

“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.

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