SCHEMBL18759895

SCHEMBL18759895

COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(C)(C)CN(C(=O)C(F)(F)F)C2

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 20/20 0.66

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
SCHEMBL18875039 0.92 ALK (0.69) ALK
SCHEMBL18875041 0.91 ALK (0.68) ALK
SCHEMBL18779878 0.87 ALK (0.77) ALK
SCHEMBL18875066 0.85 ALK (0.69) ALK
SCHEMBL18760005 0.85 ALK (0.76) ALK
SCHEMBL18875064 0.83 ALK (0.76) ALK
SCHEMBL18759878 0.83 ALK (0.70) ALK
SCHEMBL18759886 0.82 ALK (0.78) ALK
SCHEMBL18759943 0.82 ALK (0.75) ALK
SCHEMBL18759928 0.81 ALK (0.82) ALK

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053458-B2 Pyrimidine-2,4-diamine derivative and anticancer pharmaceutical composition comprising same as effective ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-08-21 — — US claimed
US-20170145007-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2017-05-25 — — US claimed
EP-3159338-A2 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2017-04-26 — — EP claimed
CN-106459007-B Pyrimidine-2, 4-diamine derivatives and pharmaceutical compositions for anticancer containing the same as the active ingredient 韩国化学研究院 2020-02-28 — — CN disclosed
US-10053458-B2 Pyrimidine-2,4-diamine derivative and anticancer pharmaceutical composition comprising same as effective ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-08-21 — — US disclosed
US-20170145007-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2017-05-25 — — US disclosed
US-20170145007-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2017-05-25 — — US disclosed
US-20170145007-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2017-05-25 — — US disclosed
EP-3159338-A2 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2017-04-26 — — EP 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 (2 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-20170145007-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVE AND ANTICANCER PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT ALK, NPM1, ETV6 ALK 1/4885
US-10053458-B2 Pyrimidine-2,4-diamine derivative and anticancer pharmaceutical composition comprising same as effective ingredient ALK, NPM1, ETV6 ALK 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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