SCHEMBL10074538

SCHEMBL10074538

CCS(=O)(=O)Nc1ccccc1Nc1nc(Cl)ncc1F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 4/20 0.55
PSIP1 O75475 1/20 0.51
AURKA O14965 7/20 0.44
AURKB Q96GD4 3/20 0.44
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
JAK2 O60674 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK8 P45983 2/20 0.39
CDC7 O00311 1/20 0.39
ALK Q9UM73 1/20 0.39
GSK3A P49840 1/20 0.38
LRRK2 Q5S007 1/20 0.38
MAPK15 Q8TD08 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL30942605 0.92 GLO1 (0.52) GLO1PSIP1AURKAAURKBALOX5AP
SCHEMBL27237975 0.92 GLO1 (0.52) GLO1PSIP1AURKAAURKBALOX5AP
SCHEMBL602490 0.87 ALK (0.46) GLO1PSIP1MAPK8ALKLRRK2
SCHEMBL30942603 0.87 GLO1 (0.69) GLO1AURKAAURKBJAK2ALK
SCHEMBL542074 0.87 GLO1 (0.69) GLO1AURKAAURKBJAK2ALK
SCHEMBL31147654 0.87 ALK (0.46) GLO1PSIP1MAPK8ALKLRRK2
SCHEMBL38655775 0.87 ALK (0.46) GLO1PSIP1MAPK8ALKLRRK2
SCHEMBL25005167 0.86 BRD4 (0.43) GLO1PSIP1AURKAALDH1A1ALK
SCHEMBL31147615 0.86 BRD4 (0.43) GLO1PSIP1AURKAALDH1A1ALK
SCHEMBL38657160 0.85 MEN1 (0.48) GLO1PSIP1MAPK8ALK

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 5 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
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US disclosed
US-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2012-02-16 US disclosed
WO-2010118986-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS CELLZOME LIMITED (GB) 2010-10-21 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-20120040955-A1 FLUORO SUBSTITUTED PYRIMIDINE COMPOUNDS AS JAK3 INHIBITORS JAK3, JAK2, JAK1 GLO1 3765/4885PSIP1 1853/4885AURKA 792/4885
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 GLO1 3256/4885PSIP1 3531/4885AURKA 321/4885

“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.