SCHEMBL3758981

SCHEMBL3758981

COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1ncc(Br)c(Nc2cc3cnn(C)c3cc2S(C)(=O)=O)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 9/20 0.56
▸ ULK1 O75385 4/20 0.53
▸ EGFR P00533 5/20 0.52
▸ ZAP70 P43403 3/20 0.49
▸ IGF1R P08069 3/20 0.48
▸ INSR P06213 2/20 0.48
▸ PLK1 P53350 4/20 0.47
▸ TTK P33981 2/20 0.47
▸ PLK4 O00444 2/20 0.46
▸ CHEK1 O14757 2/20 0.46
▸ AURKA O14965 2/20 0.46
▸ DCLK1 O15075 2/20 0.46
▸ PDPK1 O15530 2/20 0.46
▸ DAPK3 O43293 2/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ ROCK2 O75116 2/20 0.46
▸ PRKD3 O94806 2/20 0.46
▸ MAP4K4 O95819 2/20 0.46
▸ PAK4 O96013 2/20 0.46
▸ CHEK2 O96017 2/20 0.46

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
SCHEMBL3756752 0.94 ALK (0.56) ALKULK1EGFRZAP70IGF1R
SCHEMBL3769118 0.90 ULK1 (0.66) ALKULK1EGFRZAP70IGF1R
SCHEMBL3766371 0.88 PLK1 (0.62) ALKULK1EGFRZAP70IGF1R
SCHEMBL3771362 0.86 ULK1 (0.61) ALKULK1EGFRZAP70IGF1R
SCHEMBL3758454 0.84 ALK (0.67) ALKULK1EGFRZAP70IGF1R
SCHEMBL3766726 0.83 ULK1 (0.65) ALKULK1EGFRZAP70IGF1R
SCHEMBL3766662 0.83 PLK1 (0.60) ALKULK1EGFRZAP70IGF1R
SCHEMBL3763429 0.82 ALK (0.60) ALKULK1EGFRZAP70IGF1R
SCHEMBL3756737 0.82 PLK1 (0.61) ALKULK1EGFRZAP70IGF1R
SCHEMBL3762926 0.77 EGFR (0.50) ALKEGFRIGF1RPLK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435422-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-12-17 — — EP claimed
US-8486933-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-07-16 — — US claimed
WO-2010138578-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 — — WO claimed
US-20100305112-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 — — US claimed
EP-2435422-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-12-17 — — EP disclosed
US-8486933-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-07-16 — — US disclosed
WO-2010138578-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 — — WO disclosed
US-20100305112-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 — — US 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-20100305112-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 ALK 397/4885ULK1 281/4885EGFR 120/4885

“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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