SCHEMBL25004485

SCHEMBL25004485

CC(=O)N1CCc2cccc(Nc3nc(Cl)ncc3Cl)c21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.55
ALK Q9UM73 6/20 0.44
EGFR P00533 2/20 0.43
CYP11B2 P19099 2/20 0.42
MAP3K7 O43318 4/20 0.41
TRPV1 Q8NER1 1/20 0.41
MAPK1 P28482 2/20 0.40
MAP2K1 Q02750 2/20 0.40
MAPK3 P27361 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
MET P08581 1/20 0.40
SLC2A1 P11166 1/20 0.40
AXL P30530 1/20 0.40

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
SCHEMBL25005398 0.94 NOTUM (0.47) NOTUMALKEGFRMAP3K7MAPK1
SCHEMBL31147629 0.89 NOTUM (0.50) NOTUMALKCYP11B2TRPV1
SCHEMBL27237971 0.89 NOTUM (0.50) NOTUMALKCYP11B2TRPV1
SCHEMBL25005396 0.89 MAP3K7 (0.44) NOTUMALKEGFRMAP3K7MAPK1
SCHEMBL31147637 0.87 NOTUM (0.47) NOTUMCYP11B2TRPV1SLC2A1
SCHEMBL27237994 0.87 NOTUM (0.47) NOTUMCYP11B2TRPV1SLC2A1
SCHEMBL30425571 0.86 CCNK (0.49) NOTUMALKEGFRMAP3K7MAPK1
SCHEMBL26655582 0.86 CCNK (0.49) NOTUMALKEGFRMAP3K7MAPK1
SCHEMBL25005397 0.83 MAP3K7 (0.43) ALKEGFRMAP3K7MAPK1MAP2K1
SCHEMBL31147665 0.81 NOTUM (0.53) NOTUMALKCYP11B2TRPV1

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 7 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
CN-117794914-A Pyrimidine-2, 4-diamine 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 2024-03-29 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
WO-2023287130-A1 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER 한국화학연구원 2023-01-19 WO disclosed
WO-2023287130-A1 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER 한국화학연구원 2023-01-19 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 NOTUM 228/4885ALK 176/4885EGFR 2/4885

“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.