SCHEMBL25005678

SCHEMBL25005678

C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3N(C)C(C)=O)n2)c(OC)cc1N(C)CCN(C)C

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.78
ALK Q9UM73 10/20 0.78
EML4 Q9HC35 9/20 0.78
INSR P06213 2/20 0.75
ERBB2 P04626 1/20 0.75
ROS1 P08922 1/20 0.75
FER P16591 1/20 0.75
LTK P29376 1/20 0.75
BLK P51451 1/20 0.75
PTK2 Q05397 1/20 0.75
BTK Q06187 1/20 0.75
TNK2 Q07912 1/20 0.75
ERBB4 Q15303 1/20 0.75
SLK Q9H2G2 1/20 0.75
IGF1R P08069 3/20 0.66
KCNH2 Q12809 3/20 0.66

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
SCHEMBL30942627 1.00 EGFR (0.78) EGFRALKEML4INSRERBB2
SCHEMBL25005680 0.91 EGFR (0.70) EGFRALKEML4INSRERBB2
SCHEMBL30223008 0.91 EGFR (0.70) EGFRALKEML4INSRERBB2
SCHEMBL22819312 0.91 EGFR (0.78) EGFRALKEML4INSRERBB2
SCHEMBL30223153 0.91 EGFR (0.80) EGFRALKEML4INSRERBB2
SCHEMBL25005180 0.91 EGFR (0.80) EGFRALKEML4INSRERBB2
SCHEMBL25004218 0.90 EGFR (0.72) EGFRALKEML4INSRERBB2
SCHEMBL30223066 0.90 EGFR (0.72) EGFRALKEML4INSRERBB2
SCHEMBL22819310 0.90 EGFR (0.80) EGFRALKEML4INSRERBB2
SCHEMBL30223052 0.90 EGFR (0.80) EGFRALKEML4INSRERBB2

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 5 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
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 EGFR 2/4885ALK 176/4885EML4 3864/4885

“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.