SCHEMBL3762610

SCHEMBL3762610

COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2cc3cn[nH]c3cc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 16/20 0.70
▸ EGFR P00533 4/20 0.64
▸ ZAP70 P43403 3/20 0.62
▸ AURKA O14965 2/20 0.60
▸ INSR P06213 2/20 0.60
▸ IGF1R P08069 2/20 0.60
▸ ROS1 P08922 2/20 0.60
▸ EML4 Q9HC35 2/20 0.60
▸ BMPR1B O00238 1/20 0.60
▸ PLK4 O00444 1/20 0.60
▸ STK25 O00506 1/20 0.60
▸ RIOK3 O14730 1/20 0.60
▸ CHEK1 O14757 1/20 0.60
▸ CASK O14936 1/20 0.60
▸ GAK O14976 1/20 0.60
▸ DCLK1 O15075 1/20 0.60
▸ MUSK O15146 1/20 0.60
▸ EPHB6 O15197 1/20 0.60
▸ PDPK1 O15530 1/20 0.60
▸ MAP3K13 O43283 1/20 0.60

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
SCHEMBL3761718 0.93 PLK1 (0.60) ALKEGFRZAP70AURKAINSR
SCHEMBL18843489 0.86 ZAP70 (0.82) ALKEGFRZAP70AURKAINSR
SCHEMBL3766664 0.84 PLK1 (0.60) ALKEGFRZAP70AURKAINSR
SCHEMBL3771264 0.83 PLK1 (0.63) ALKEGFRAURKAINSRIGF1R
SCHEMBL18843601 0.83 ALK (0.85) ALKEGFRZAP70AURKAINSR
SCHEMBL18843510 0.82 ALK (0.92) ALKEGFRZAP70AURKAINSR
SCHEMBL18843517 0.82 ALK (1.00) ALKEGFRZAP70AURKAINSR
SCHEMBL12729778 0.81 ALK (0.81) ALKEGFRZAP70AURKAINSR
SCHEMBL20805541 0.81 ZAP70 (0.80) ALKEGFRZAP70AURKAINSR
SCHEMBL3761696 0.80 PLK1 (0.59) 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 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 397/4885EGFR 120/4885ZAP70 684/4885

“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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