SCHEMBL4394539

SCHEMBL4394539

Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.88
BCR P11274 13/20 0.88
KIT P10721 11/20 0.88
PDGFRA P16234 10/20 0.88
PDGFRB P09619 4/20 0.88
EGFR P00533 2/20 0.88
ABL2 P42684 2/20 0.88
PLK4 O00444 1/20 0.88
DDX3X O00571 1/20 0.88
GAK O14976 1/20 0.88
SLC22A2 O15244 1/20 0.88
MAPK13 O15264 1/20 0.88
CA12 O43570 1/20 0.88
SLC22A3 O75751 1/20 0.88
ABCB11 O95342 1/20 0.88
CA1 P00915 1/20 0.88
CA2 P00918 1/20 0.88
LMNA P02545 1/20 0.88
ALB P02768 1/20 0.88
RAF1 P04049 1/20 0.88

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
SCHEMBL4399517 0.99 ABL1 (0.87) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL31553098 0.97 ABL1 (0.94) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL12127861 0.94 ABL1 (0.90) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL3857816 0.94 ABL1 (0.94) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL29355523 0.94 ABL1 (1.00) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL10074443 0.94 ABL1 (0.88) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL2236091 0.94 ABL1 (1.00) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL29351601 0.94 ABL1 (1.00) ABL1BCRKITPDGFRAPDGFRB
SCHEMBL4394235 0.94 ABL1 (0.88) ABL1BCRKITPDGFRAPDGFRB
Imatinib SCHEMBL3827 0.94 ABL1 (1.00) ABL1BCRKITPDGFRAPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102453-A1 N-phenyl-2-pyrimidine-amine derivatives NOVARTIS AG (CH) 2004-05-27 US claimed
EP-1322634-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES Novartis AG (CH) 2003-07-02 EP claimed
WO-2002022597-A1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NOVARTIS AG (CH) 2002-03-21 WO claimed
EP-1322634-B1 N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NOVARTIS AG (CH) 2009-12-16 EP 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-20040102453-A1 N-phenyl-2-pyrimidine-amine derivatives NUDT1, PNP, TYMP ABL1 68/4885BCR 4165/4885KIT 352/4885

“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.