Sugi Predict

Sugi Predict / Compounds / SCHEMBL22087948

SCHEMBL22087948

SCHEMBL22087948

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(=O)(=O)NC(=O)OC(C)(C)C)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 0.78
▸ INSR P06213 10/20 0.74
▸ IGF1R P08069 10/20 0.74
▸ ALK Q9UM73 10/20 0.74
▸ MET P08581 3/20 0.71
▸ CHEK1 O14757 2/20 0.71
▸ AURKA O14965 2/20 0.71
▸ NUAK1 O60285 2/20 0.71
▸ JAK2 O60674 2/20 0.71
▸ STK10 O94804 2/20 0.71
▸ PRKD3 O94806 2/20 0.71
▸ CHEK2 O96017 2/20 0.71
▸ ABL1 P00519 2/20 0.71
▸ ERBB2 P04626 2/20 0.71
▸ LCK P06239 2/20 0.71
▸ FYN P06241 2/20 0.71
▸ FES P07332 2/20 0.71
▸ CSF1R P07333 2/20 0.71
▸ YES1 P07947 2/20 0.71
▸ LYN P07948 2/20 0.71

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
SCHEMBL29435439 1.00 EGFR (0.78) EGFRINSRIGF1RALKMET
SCHEMBL21846995 0.91 EGFR (0.83) EGFRINSRIGF1RALKMET
SCHEMBL22087540 0.89 EGFR (0.77) EGFRINSRIGF1RALKAURKA
SCHEMBL29435440 0.89 EGFR (0.77) EGFRINSRIGF1RALKAURKA
SCHEMBL21846986 0.88 EGFR (1.00) EGFRINSRIGF1RALKMET
SCHEMBL28368559 0.87 EGFR (0.82) EGFRINSRIGF1RALKMET
SCHEMBL21847018 0.87 EGFR (0.76) EGFRALKLRRK2
SCHEMBL22087949 0.87 EGFR (1.00) EGFRINSRIGF1RALKMET
SCHEMBL21847000 0.86 EGFR (1.00) EGFRINSRIGF1RALK
SCHEMBL21846982 0.85 EGFR (1.00) EGFRINSRIGF1RALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-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 EGFR 2/4885INSR 2643/4885IGF1R 541/4885
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 EGFR 2/4885INSR 2643/4885IGF1R 541/4885

“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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