SCHEMBL30223016

SCHEMBL30223016

C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)c(OC)cc1OCCN1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 14/20 0.66
▸ MAPK3 P27361 4/20 0.64
▸ ALK Q9UM73 3/20 0.56
▸ ROS1 P08922 1/20 0.55
▸ LRRK2 Q5S007 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
SCHEMBL27238046 1.00 EGFR (0.66) EGFRMAPK3ALKROS1LRRK2
SCHEMBL23255650 0.94 EGFR (0.64) EGFRMAPK3LRRK2
SCHEMBL27238033 0.88 EGFR (0.66) EGFRMAPK3ALKROS1
SCHEMBL30223094 0.88 EGFR (0.66) EGFRMAPK3ALKROS1
SCHEMBL16780966 0.88 ALK (0.66) EGFRALK
SCHEMBL27238037 0.88 EGFR (0.66) EGFRMAPK3ALKROS1
SCHEMBL30223472 0.88 EGFR (0.66) EGFRMAPK3ALKROS1
SCHEMBL23248539 0.87 MAPK3 (0.68) EGFRMAPK3ALKROS1
SCHEMBL16781051 0.87 ALK (0.66) EGFRALK
SCHEMBL23248569 0.86 EGFR (0.56) EGFRMAPK3ALKROS1LRRK2

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 4 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
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
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 EGFR 2/4885MAPK3 1318/4885ALK 176/4885

“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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