SCHEMBL21847008

SCHEMBL21847008

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

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.77
▸ EGFR P00533 3/20 0.67
▸ INSR P06213 1/20 0.61
▸ IGF1R P08069 1/20 0.61
▸ CCNK O75909 1/20 0.61
▸ CCNA2 P20248 1/20 0.61
▸ CDK2 P24941 1/20 0.61
▸ CCND3 P30281 1/20 0.61
▸ CDK9 P50750 1/20 0.61
▸ CDK6 Q00534 1/20 0.61
▸ MAPK3 P27361 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
SCHEMBL21847013 0.92 ALK (0.65) ALKEGFRIGF1RCDK2
SCHEMBL21846973 0.89 EGFR (0.62) ALKEGFRINSRIGF1R
SCHEMBL21847010 0.88 ALK (0.81) ALKEGFRINSRIGF1RCCNK
SCHEMBL16752955 0.87 ALK (1.00) ALK
SCHEMBL16752969 0.87 ALK (1.00) ALK
SCHEMBL29059827 0.87 ALK (0.77) ALKEGFRINSRIGF1RCCNK
SCHEMBL30761517 0.86 ALK (0.82) ALKEGFRINSRIGF1R
SCHEMBL16752912 0.86 ALK (0.85) ALKEGFR
SCHEMBL29059678 0.85 ALK (0.74) ALKEGFRINSRIGF1RCCNK
SCHEMBL21844685 0.85 ALK (0.76) ALKEGFRINSRIGF1RCDK2

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 2/4885INSR 2643/4885
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 2/4885INSR 2643/4885
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 2/4885INSR 2643/4885

“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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