SCHEMBL30223069

SCHEMBL30223069

C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3cccc4c3N(S(C)(=O)=O)CCC4)n2)c(OC)cc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 12/20 0.62
▸ EGFR P00533 11/20 0.62
▸ IGF1R P08069 10/20 0.56
▸ INSR P06213 9/20 0.56
▸ MET P08581 2/20 0.54
▸ BMPR1B O00238 1/20 0.53
▸ PLK4 O00444 1/20 0.53
▸ STK25 O00506 1/20 0.53
▸ RIOK3 O14730 1/20 0.53
▸ CHEK1 O14757 1/20 0.53
▸ CASK O14936 1/20 0.53
▸ AURKA O14965 1/20 0.53
▸ GAK O14976 1/20 0.53
▸ DCLK1 O15075 1/20 0.53
▸ MUSK O15146 1/20 0.53
▸ EPHB6 O15197 1/20 0.53
▸ PDPK1 O15530 1/20 0.53
▸ MAP3K13 O43283 1/20 0.53
▸ DAPK3 O43293 1/20 0.53
▸ MAP3K7 O43318 1/20 0.53

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
SCHEMBL30223482 0.96 ALK (0.62) ALKEGFRIGF1RINSRMET
SCHEMBL25004490 0.91 EGFR (0.60) ALKEGFRIGF1RINSRKCNH2
SCHEMBL30223003 0.91 EGFR (0.60) ALKEGFRIGF1RINSRKCNH2
SCHEMBL30223046 0.87 EGFR (0.61) ALKEGFRIGF1RINSRKCNH2
SCHEMBL23248546 0.86 EGFR (0.72) ALKEGFRIGF1RINSRMAPK3
SCHEMBL29661303 0.86 ALK (0.75) ALKEGFRIGF1RINSRMET
SCHEMBL26778353 0.86 ALK (0.75) ALKEGFRIGF1RINSRMET
SCHEMBL24326973 0.85 ALK (0.69) ALKEGFRIGF1RINSRMET
SCHEMBL26778379 0.84 ALK (0.61) ALKEGFRIGF1RINSRMET
SCHEMBL29253697 0.84 ALK (0.68) ALKEGFRIGF1RINSRMET

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
US-20240343694-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESERARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-10-17 — — US claimed
EP-4382514-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2024-06-12 — — EP claimed
WO-2023014022-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2023-02-09 — — WO claimed
US-20240343694-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESERARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-10-17 — — US disclosed
EP-4382514-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2024-06-12 — — EP disclosed
WO-2023014022-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2023-02-09 — — WO 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-20240343694-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT ERBB2, EGFR, DPYD ALK 176/4885EGFR 2/4885IGF1R 1070/4885

“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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