SCHEMBL25005392

SCHEMBL25005392

CC(=O)Nc1c(Nc2nc(Cl)ncc2Cl)ccc(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 6/20 0.41
ALK Q9UM73 5/20 0.38
ROS1 P08922 3/20 0.38
EGFR P00533 1/20 0.38
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
MAP3K7 O43318 1/20 0.36
ULK1 O75385 1/20 0.36
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CCNK O75909 2/20 0.36
CCND3 P30281 2/20 0.36
CDK9 P50750 2/20 0.36
CDK6 Q00534 2/20 0.36
MET P08581 1/20 0.35
LCK P06239 1/20 0.35
CTSC P53634 1/20 0.35

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
SCHEMBL31147673 0.85 LCK (0.46) MAPK3ALKROS1EGFRULK1
SCHEMBL25005393 0.85 LCK (0.46) MAPK3ALKROS1EGFRULK1
SCHEMBL27238042 0.81 ALK (0.39) MAPK3ALKROS1EGFRCCNA2
SCHEMBL602415 0.80 MAPK3 (0.40) MAPK3ALKROS1EGFRULK1
SCHEMBL31147612 0.79 MAPK3 (0.53) MAPK3ALKROS1EGFRMAP3K7
SCHEMBL25004482 0.79 MAPK3 (0.53) MAPK3ALKROS1EGFRMAP3K7
SCHEMBL25005171 0.79 ALK (0.39) MAPK3ALKSTK17BSTK17AULK1
SCHEMBL25004486 0.78 ROS1 (0.52) MAPK3ALKROS1EGFRMAP3K7
SCHEMBL29904740 0.78 ROS1 (0.52) MAPK3ALKROS1EGFRMAP3K7
SCHEMBL29904725 0.78 KDM4E (0.46) MAPK3ALKROS1EGFRMAP3K7

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
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
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 MAPK3 1318/4885ALK 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.