SCHEMBL21847032

SCHEMBL21847032

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Nc1ncc(Br)c(Nc2ccccc2NS(=O)(=O)NC(=O)OC(C)(C)C)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.65
▸ ALK Q9UM73 13/20 0.63
▸ ULK1 O75385 2/20 0.57
▸ CDC7 O00311 1/20 0.57
▸ PLK4 O00444 1/20 0.57
▸ CHEK1 O14757 1/20 0.57
▸ AURKA O14965 1/20 0.57
▸ DCLK1 O15075 1/20 0.57
▸ PDPK1 O15530 1/20 0.57
▸ DAPK3 O43293 1/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ ROCK2 O75116 1/20 0.57
▸ PRKD3 O94806 1/20 0.57
▸ MAP4K4 O95819 1/20 0.57
▸ PAK4 O96013 1/20 0.57
▸ CHEK2 O96017 1/20 0.57
▸ ERBB2 P04626 1/20 0.57
▸ NTRK1 P04629 1/20 0.57
▸ PRKCG P05129 1/20 0.57
▸ LCK P06239 1/20 0.57

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
SCHEMBL28364828 0.94 EGFR (0.64) EGFRALKULK1CDC7PLK4
SCHEMBL21847018 0.92 EGFR (0.76) EGFRALK
SCHEMBL21847019 0.88 EGFR (0.60) EGFRALKMET
SCHEMBL29832835 0.88 EGFR (0.60) EGFRALKMET
SCHEMBL21847012 0.87 ALK (0.69) EGFRALKULK1CDC7PLK4
SCHEMBL28364747 0.86 EGFR (0.75) EGFRALK
SCHEMBL21847013 0.84 ALK (0.65) EGFRALKULK1CDC7PLK4
SCHEMBL28364756 0.82 EGFR (0.59) EGFRALKMET
SCHEMBL21847026 0.81 EGFR (0.70) EGFRALKIGF1RMET
SCHEMBL22087540 0.81 EGFR (0.77) EGFRALKAURKAIGF1RZAP70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640246-B1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2023-11-01 — — EP disclosed
US-20220249482-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-08-11 — — US disclosed
EP-3640246-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER Korea Research Institute of Chemical Technology (KR) 2020-04-22 — — 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 (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-20220249482-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER FLT3, EGFR, ERBB2 EGFR 2/4885ALK 76/4885ULK1 3752/4885

“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