SCHEMBL3766726

SCHEMBL3766726

CCS(=O)(=O)c1cc2c(cnn2C)cc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 3/20 0.65
▸ ALK Q9UM73 8/20 0.57
▸ INSR P06213 7/20 0.57
▸ ZAP70 P43403 2/20 0.55
▸ LRRK2 Q5S007 4/20 0.54
▸ EGFR P00533 3/20 0.54
▸ CAMKK2 Q96RR4 2/20 0.53
▸ GSK3A P49840 1/20 0.53
▸ MAPK15 Q8TD08 1/20 0.53
▸ TTK P33981 1/20 0.51
▸ IGF1R P08069 2/20 0.50
▸ MAPK8 P45983 2/20 0.49
▸ MAPK9 P45984 2/20 0.49
▸ MAPK10 P53779 2/20 0.49
▸ CDC7 O00311 1/20 0.49
▸ PLK4 O00444 1/20 0.49
▸ CHEK1 O14757 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ DCLK1 O15075 1/20 0.49
▸ PDPK1 O15530 1/20 0.49

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
SCHEMBL3769118 0.93 ULK1 (0.66) ULK1ALKINSRZAP70LRRK2
SCHEMBL3756752 0.90 ALK (0.56) ULK1ALKZAP70EGFRGSK3A
SCHEMBL3756737 0.89 PLK1 (0.61) ULK1ALKINSRZAP70EGFR
SCHEMBL3763429 0.88 ALK (0.60) ULK1ALKINSRZAP70LRRK2
SCHEMBL3761418 0.86 ULK1 (0.64) ULK1ALKINSRZAP70LRRK2
SCHEMBL3762506 0.85 ULK1 (0.75) ULK1ALKINSRZAP70LRRK2
SCHEMBL3758981 0.83 ALK (0.56) ULK1ALKINSRZAP70LRRK2
SCHEMBL3766371 0.83 PLK1 (0.62) ULK1ALKINSRZAP70EGFR
SCHEMBL3766662 0.81 PLK1 (0.60) ULK1ALKINSRZAP70LRRK2
SCHEMBL3758454 0.80 ALK (0.67) ULK1ALKINSRZAP70LRRK2

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 ULK1 281/4885ALK 397/4885INSR 6/4885

“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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