SCHEMBL30939735

SCHEMBL30939735

CCCS(=O)(=O)Nc1ccccc1Nc1nc(Cl)ncc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.44
MET P08581 2/20 0.43
PTGS1 P23219 2/20 0.40
BRD4 O60885 1/20 0.40
PIK3CG P48736 1/20 0.39
BRAF P15056 3/20 0.39
PTGS2 P35354 1/20 0.39
ROS1 P08922 3/20 0.39
EGFR P00533 3/20 0.39
MAPK1 P28482 1/20 0.39
GLO1 Q04760 1/20 0.39
CDK7 P50613 1/20 0.39
CDK9 P50750 1/20 0.39

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
SCHEMBL27237973 1.00 ALK (0.44) ALKMETPTGS1BRD4PIK3CG
SCHEMBL31147654 0.91 ALK (0.46) ALKMETROS1EGFRMAPK1
SCHEMBL602490 0.91 ALK (0.46) ALKMETROS1EGFRMAPK1
SCHEMBL38655775 0.91 ALK (0.46) ALKMETROS1EGFRMAPK1
SCHEMBL27237987 0.89 BRD4 (0.45) PTGS1BRD4PIK3CGBRAFPTGS2
SCHEMBL30942594 0.89 BRD4 (0.45) PTGS1BRD4PIK3CGBRAFPTGS2
SCHEMBL30942605 0.88 GLO1 (0.52) BRAFGLO1
SCHEMBL27237975 0.88 GLO1 (0.52) BRAFGLO1
SCHEMBL542158 0.83 ALK (0.54) ALKMETPTGS1PTGS2ROS1
SCHEMBL29435445 0.83 ALK (0.54) ALKMETPTGS1PTGS2ROS1

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 3 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 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
CN-118139847-A Pyrimidine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient 韩国化学研究院 2024-06-04 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 (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 176/4885MET 448/4885PTGS1 1613/4885

“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.