SCHEMBL3766658

SCHEMBL3766658

COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Br)c(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 3/20 0.62
▸ EGFR P00533 6/20 0.60
▸ ALK Q9UM73 8/20 0.58
▸ PDGFRB P09619 3/20 0.58
▸ PDGFRA P16234 3/20 0.58
▸ ULK1 O75385 1/20 0.56
▸ AURKA O14965 1/20 0.54
▸ INSR P06213 1/20 0.54
▸ IGF1R P08069 1/20 0.54
▸ ROS1 P08922 1/20 0.54
▸ EML4 Q9HC35 1/20 0.54
▸ FGFR1 P11362 1/20 0.52

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
SCHEMBL3771264 0.89 PLK1 (0.63) PLK1EGFRALKPDGFRBPDGFRA
SCHEMBL3760015 0.89 PLK1 (0.65) PLK1EGFRALKPDGFRBPDGFRA
SCHEMBL3764374 0.87 PDGFRB (0.75) PLK1EGFRALKPDGFRBPDGFRA
SCHEMBL3761696 0.85 PLK1 (0.59) PLK1EGFRALKPDGFRBPDGFRA
SCHEMBL3766732 0.85 PLK1 (0.62) PLK1EGFRALKULK1AURKA
SCHEMBL3766664 0.84 PLK1 (0.60) PLK1EGFRALKPDGFRBPDGFRA
SCHEMBL3761718 0.84 PLK1 (0.60) PLK1EGFRALKULK1AURKA
SCHEMBL3716380 0.82 PLK1 (0.63) PLK1EGFRALKULK1AURKA
SCHEMBL3760012 0.79 PLK1 (0.64) PLK1EGFRALKULK1AURKA
SCHEMBL3767425 0.76 ALK (0.68) EGFRALKAURKAINSRIGF1R

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 7 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
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 PLK1 60/4885EGFR 120/4885ALK 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.

Send feedback