SCHEMBL21847013

SCHEMBL21847013

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1Nc1ncc(Br)c(Nc2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.65
▸ EGFR P00533 5/20 0.58
▸ ULK1 O75385 2/20 0.56
▸ PLK1 P53350 2/20 0.55
▸ CDC7 O00311 1/20 0.55
▸ PLK4 O00444 1/20 0.55
▸ CHEK1 O14757 1/20 0.55
▸ AURKA O14965 1/20 0.55
▸ DCLK1 O15075 1/20 0.55
▸ PDPK1 O15530 1/20 0.55
▸ DAPK3 O43293 1/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ ROCK2 O75116 1/20 0.55
▸ PRKD3 O94806 1/20 0.55
▸ MAP4K4 O95819 1/20 0.55
▸ PAK4 O96013 1/20 0.55
▸ CHEK2 O96017 1/20 0.55
▸ ERBB2 P04626 1/20 0.55
▸ NTRK1 P04629 1/20 0.55
▸ PRKCG P05129 1/20 0.55

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
SCHEMBL21847008 0.92 ALK (0.77) ALKEGFRIGF1RCDK2
SCHEMBL21847012 0.88 ALK (0.69) ALKEGFRULK1PLK1CDC7
SCHEMBL21846985 0.88 ALK (0.54) ALKEGFRPLK1IGF1R
SCHEMBL21847032 0.84 EGFR (0.65) ALKEGFRULK1PLK1CDC7
SCHEMBL28364828 0.84 EGFR (0.64) ALKEGFRULK1PLK1CDC7
SCHEMBL21846973 0.81 EGFR (0.62) ALKEGFRIGF1RMET
SCHEMBL21847010 0.80 ALK (0.81) ALKEGFRIGF1RCDK2
SCHEMBL16514067 0.80 ALK (0.66) ALKEGFR
SCHEMBL16769548 0.80 ALK (1.00) ALKEGFR
SCHEMBL29059827 0.79 ALK (0.77) ALKEGFRIGF1RCDK2

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 6 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
US-11253516-B2 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) 2022-02-22 — — US disclosed
US-20200179384-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) 2020-06-11 — — 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
CN-110740999-A N2, N4-diphenylpyrimidine-2, 4-diamine derivative, process for producing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient 韩国化学研究院 2020-01-31 — — CN 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 (3 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-20200179384-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 ALK 76/4885EGFR 2/4885ULK1 3752/4885
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 ALK 76/4885EGFR 2/4885ULK1 3752/4885
US-11253516-B2 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 ALK 76/4885EGFR 2/4885ULK1 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.

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