SCHEMBL25005171

SCHEMBL25005171

CC(=O)N(C)c1c(Nc2nc(Cl)ncc2Cl)ccc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.39
MAPK3 P27361 5/20 0.38
STK17B O94768 1/20 0.35
STK17A Q9UEE5 1/20 0.35
ULK1 O75385 1/20 0.35
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
CCNK O75909 2/20 0.34
CCND3 P30281 2/20 0.34
CDK9 P50750 2/20 0.34
CDK6 Q00534 2/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL31147670 0.86 CCNA2 (0.41) ALKMAPK3ULK1CCNA2CDK2
SCHEMBL25005394 0.86 CCNA2 (0.41) ALKMAPK3ULK1CCNA2CDK2
SCHEMBL27238028 0.81 ALK (0.38) ALKMAPK3CCNA2CDK2CCNK
SCHEMBL31147644 0.81 ALK (0.38) ALKMAPK3CCNA2CDK2CCNK
SCHEMBL31147662 0.79 MAPK3 (0.42) ALKMAPK3LRRK2
SCHEMBL25004483 0.79 MAPK3 (0.42) ALKMAPK3LRRK2
SCHEMBL25005392 0.79 MAPK3 (0.41) ALKMAPK3STK17BSTK17AULK1
SCHEMBL25004484 0.77 MAPK3 (0.51) ALKMAPK3STK17AULK1CCNA2
SCHEMBL31147650 0.77 MAPK3 (0.51) ALKMAPK3STK17AULK1CCNA2
SCHEMBL27238029 0.77 MAPK3 (0.42) ALKMAPK3ULK1

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
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
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 ALK 176/4885MAPK3 1318/4885STK17B 1788/4885

“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.