SCHEMBL30223020

SCHEMBL30223020

COc1cc(N(C)CCN(C)C)ccc1Nc1ncc(Cl)c(Nc2ccc3nccnc3c2NS(C)(=O)=O)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.51
▸ ALK Q9UM73 7/20 0.48
▸ ROS1 P08922 3/20 0.48
▸ LRRK2 Q5S007 2/20 0.46
▸ MAPK3 P27361 1/20 0.46
▸ MET P08581 1/20 0.46
▸ INSR P06213 2/20 0.46
▸ EML4 Q9HC35 2/20 0.45
▸ ERBB2 P04626 1/20 0.44
▸ FER P16591 1/20 0.44
▸ LTK P29376 1/20 0.44
▸ BLK P51451 1/20 0.44
▸ PTK2 Q05397 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ TNK2 Q07912 1/20 0.44
▸ ERBB4 Q15303 1/20 0.44
▸ SLK Q9H2G2 1/20 0.44

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
SCHEMBL27238030 1.00 EGFR (0.51) EGFRALKROS1LRRK2MAPK3
SCHEMBL27076029 0.88 EGFR (0.51) EGFRALKROS1LRRK2MAPK3
SCHEMBL29624110 0.84 EGFR (0.67) EGFRALKROS1MAPK3INSR
SCHEMBL22806726 0.84 EGFR (0.67) EGFRALKROS1MAPK3INSR
SCHEMBL27076044 0.84 EGFR (0.48) EGFRALKROS1LRRK2MAPK3
SCHEMBL22819299 0.84 EGFR (0.54) EGFRALKROS1INSREML4
SCHEMBL26379006 0.79 EGFR (0.51) EGFRALK
SCHEMBL27076049 0.79 EGFR (0.51) EGFRALKROS1LRRK2MAPK3
SCHEMBL27076036 0.79 EGFR (0.74) EGFRALKLRRK2
SCHEMBL27076030 0.79 EGFR (0.74) EGFRALKMETINSR

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 176/4885ROS1 459/4885

“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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