SCHEMBL3767425

SCHEMBL3767425

COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccc3c(cnn3C)c2)n1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.68
▸ INSR P06213 5/20 0.65
▸ IGF1R P08069 4/20 0.65
▸ AURKA O14965 1/20 0.65
▸ ROS1 P08922 1/20 0.65
▸ EML4 Q9HC35 1/20 0.65
▸ EGFR P00533 3/20 0.63
▸ ZAP70 P43403 1/20 0.54

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
SCHEMBL3766732 0.92 PLK1 (0.62) ALKINSRIGF1RAURKAROS1
SCHEMBL3718097 0.81 ALK (0.68) ALKINSRIGF1RAURKAROS1
SCHEMBL28508331 0.81 ALK (1.00) ALKINSRIGF1RAURKAROS1
SCHEMBL28033932 0.80 ALK (0.77) ALKINSRIGF1RAURKAROS1
SCHEMBL21846979 0.80 EGFR (0.78) ALKINSRIGF1RAURKAROS1
SCHEMBL21709647 0.79 ALK (0.87) ALKINSRIGF1RAURKAROS1
SCHEMBL26611528 0.79 EGFR (0.79) ALKINSRIGF1RAURKAROS1
SCHEMBL11916416 0.79 ALK (1.00) ALKINSRIGF1RAURKAROS1
SCHEMBL29489146 0.79 ALK (1.00) ALKINSRIGF1RAURKAROS1
SCHEMBL19970230 0.78 ALK (0.75) ALKINSRIGF1RAURKAROS1

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 397/4885INSR 6/4885IGF1R 1/4885

“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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