SCHEMBL25005397

SCHEMBL25005397

CCC(=O)N1CCCc2cccc(Nc3nc(Cl)ncc3Cl)c21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 3/20 0.43
EGFR P00533 2/20 0.40
FGFR4 P22455 1/20 0.40
ALK Q9UM73 8/20 0.40
MET P08581 4/20 0.40
MAPK8 P45983 2/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
INSR P06213 2/20 0.38
ROS1 P08922 1/20 0.38
MAPK1 P28482 2/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
MAP2K1 Q02750 1/20 0.38
AXL P30530 1/20 0.38
SLC2A1 P11166 1/20 0.37

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
SCHEMBL25005396 0.94 MAP3K7 (0.44) MAP3K7EGFRALKMETMAPK8
SCHEMBL25005398 0.89 NOTUM (0.47) MAP3K7EGFRFGFR4ALKMET
SCHEMBL30141686 0.83 CCNA2 (0.41) MAP3K7ALKMAPK8MAPK9MAPK10
SCHEMBL25004485 0.83 NOTUM (0.55) MAP3K7EGFRALKMETMAPK1
SCHEMBL30141695 0.81 MEN1 (0.40) MAP3K7ALKMETINSR
SCHEMBL29661271 0.79 CDK9 (0.42) EGFRFGFR4ALKMETMAPK8
SCHEMBL26778572 0.79 CDK9 (0.42) EGFRFGFR4ALKMETMAPK8
SCHEMBL30425571 0.78 CCNK (0.49) MAP3K7EGFRALKMETINSR
SCHEMBL26655582 0.78 CCNK (0.49) MAP3K7EGFRALKMETINSR
SCHEMBL25014390 0.77 CDK9 (0.40) MAP3K7EGFRALKAXL

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240352000-A1 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2024-10-24 US disclosed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20240352000-A1 NOVEL PYRIMIDINE-2,4-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER WEE2, WEE1, ERBB2 MAP3K7 1456/4885EGFR 6/4885FGFR4 23/4885
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 MAP3K7 760/4885EGFR 2/4885FGFR4 57/4885

“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.