SCHEMBL3762576

SCHEMBL3762576

CNC(=O)c1cc2c(cnn2C)cc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1Br

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 9/20 0.64
▸ ULK1 O75385 1/20 0.60
▸ ALK Q9UM73 5/20 0.56
▸ EGFR P00533 6/20 0.54
▸ AURKA O14965 2/20 0.53
▸ INSR P06213 2/20 0.53
▸ IGF1R P08069 2/20 0.53
▸ ROS1 P08922 2/20 0.53
▸ ZAP70 P43403 1/20 0.53
▸ EML4 Q9HC35 1/20 0.53
▸ PTK2 Q05397 2/20 0.50
▸ CDC7 O00311 1/20 0.50
▸ PLK4 O00444 1/20 0.50
▸ CHEK1 O14757 1/20 0.50
▸ DCLK1 O15075 1/20 0.50
▸ PDPK1 O15530 1/20 0.50
▸ DAPK3 O43293 1/20 0.50
▸ DYRK3 O43781 1/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ PRKD3 O94806 1/20 0.50

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
SCHEMBL3762506 0.90 ULK1 (0.75) PLK1ULK1ALKEGFRAURKA
SCHEMBL3764779 0.89 FGFR1 (0.51) PLK1ULK1EGFRINSRIGF1R
SCHEMBL3771362 0.88 ULK1 (0.61) PLK1ULK1ALKEGFRAURKA
SCHEMBL3766371 0.86 PLK1 (0.62) PLK1ULK1ALKEGFRAURKA
SCHEMBL3756737 0.85 PLK1 (0.61) PLK1ULK1ALKEGFRAURKA
SCHEMBL3766662 0.84 PLK1 (0.60) PLK1ULK1ALKEGFRAURKA
SCHEMBL3766732 0.84 PLK1 (0.62) PLK1ULK1ALKEGFRAURKA
SCHEMBL4097600 0.77 ALK (0.67) PLK1ALKEGFRAURKAINSR
SCHEMBL4097606 0.77 ALK (0.67) PLK1ALKEGFRAURKAINSR
SCHEMBL3767425 0.76 ALK (0.68) ALKEGFRAURKAINSRIGF1R

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
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
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
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 PLK1 60/4885ULK1 281/4885ALK 397/4885

“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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