SCHEMBL30223472

SCHEMBL30223472

C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3NS(C)(=O)=O)n2)c(OC)cc1N(C)CCN1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.66
▸ ALK Q9UM73 9/20 0.66
▸ EML4 Q9HC35 7/20 0.66
▸ ERBB2 P04626 1/20 0.64
▸ INSR P06213 1/20 0.64
▸ ROS1 P08922 1/20 0.64
▸ FER P16591 1/20 0.64
▸ LTK P29376 1/20 0.64
▸ BLK P51451 1/20 0.64
▸ PTK2 Q05397 1/20 0.64
▸ BTK Q06187 1/20 0.64
▸ TNK2 Q07912 1/20 0.64
▸ ERBB4 Q15303 1/20 0.64
▸ SLK Q9H2G2 1/20 0.64
▸ MAPK3 P27361 1/20 0.60
▸ IGF1R P08069 1/20 0.55
▸ KCNH2 Q12809 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
SCHEMBL27238037 1.00 EGFR (0.66) EGFRALKEML4ERBB2INSR
SCHEMBL30223094 0.99 EGFR (0.66) EGFRALKEML4ERBB2INSR
SCHEMBL27238033 0.99 EGFR (0.66) EGFRALKEML4ERBB2INSR
SCHEMBL23248572 0.95 EGFR (0.68) EGFRALKEML4ERBB2INSR
SCHEMBL23248535 0.94 EGFR (0.69) EGFRALKEML4ERBB2INSR
SCHEMBL29624087 0.89 EGFR (0.81) EGFRALKEML4ERBB2INSR
SCHEMBL22806866 0.89 EGFR (0.81) EGFRALKEML4ERBB2INSR
SCHEMBL30223156 0.89 EGFR (0.71) EGFRALKEML4ERBB2INSR
SCHEMBL27237964 0.89 EGFR (0.71) EGFRALKEML4ERBB2INSR
SCHEMBL27237918 0.88 EGFR (0.71) EGFRALKEML4ERBB2INSR

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
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 2/4885ALK 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.

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