SCHEMBL4404359

SCHEMBL4404359

CCCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)CC1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 0.89
BCR P11274 15/20 0.89
KIT P10721 10/20 0.89
PDGFRA P16234 7/20 0.89
ABL2 P42684 3/20 0.89
PDGFRB P09619 3/20 0.89
LYN P07948 3/20 0.89
SRC P12931 2/20 0.89
SYK P43405 2/20 0.89
PLK4 O00444 1/20 0.89
DDX3X O00571 1/20 0.89
GAK O14976 1/20 0.89
SLC22A2 O15244 1/20 0.89
MAPK13 O15264 1/20 0.89
CA12 O43570 1/20 0.89
SLC22A3 O75751 1/20 0.89
ABCB11 O95342 1/20 0.89
EGFR P00533 1/20 0.89
CA1 P00915 1/20 0.89
CA2 P00918 1/20 0.89

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
SCHEMBL31553098 0.95 ABL1 (0.94) ABL1BCRKITPDGFRAABL2
SCHEMBL12767732 0.94 ABL1 (0.89) ABL1BCRKITPDGFRAABL2
SCHEMBL11939066 0.94 ABL1 (1.00) ABL1BCRKITPDGFRAABL2
Imatinib SCHEMBL29351601 0.94 ABL1 (1.00) ABL1BCRKITPDGFRAABL2
Imatinib SCHEMBL2236091 0.94 ABL1 (1.00) ABL1BCRKITPDGFRAABL2
Imatinib SCHEMBL3827 0.94 ABL1 (1.00) ABL1BCRKITPDGFRAABL2
Imatinib SCHEMBL29355523 0.94 ABL1 (1.00) ABL1BCRKITPDGFRAABL2
SCHEMBL4394235 0.94 ABL1 (0.88) ABL1BCRKITPDGFRAABL2
SCHEMBL12288611 0.93 ABL1 (1.00) ABL1BCRKITPDGFRAABL2
SCHEMBL12901010 0.93 ABL1 (0.89) ABL1BCRKITPDGFRAABL2

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-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
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 US 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-20040102453-A1 N-phenyl-2-pyrimidine-amine derivatives NUDT1, PNP, TYMP ABL1 68/4885BCR 4165/4885KIT 352/4885
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB ABL1 217/4885BCR 1159/4885KIT 1657/4885

“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.