SCHEMBL3528980

SCHEMBL3528980

Cc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.79
BCR P11274 10/20 0.79
LYN P07948 5/20 0.79
CCNA2 P20248 1/20 0.71
CDK2 P24941 1/20 0.71
CCNA1 P78396 1/20 0.71
KIT P10721 7/20 0.69
PDGFRA P16234 4/20 0.69
KDR P35968 3/20 0.69
PDGFRB P09619 4/20 0.69
PLK4 O00444 1/20 0.69
DDX3X O00571 1/20 0.69
GAK O14976 1/20 0.69
SLC22A2 O15244 1/20 0.69
MAPK13 O15264 1/20 0.69
CA12 O43570 1/20 0.69
SLC22A3 O75751 1/20 0.69
ABCB11 O95342 1/20 0.69
EGFR P00533 1/20 0.69
CA1 P00915 1/20 0.69

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
SCHEMBL1654429 0.97 ABL1 (0.79) ABL1BCRLYNCCNA2CDK2
SCHEMBL3532229 0.94 ABL1 (0.76) ABL1BCRLYNKITPDGFRA
SCHEMBL3526105 0.94 ABL1 (0.75) ABL1BCRLYNKITPDGFRA
SCHEMBL5223561 0.92 ABL1 (0.73) ABL1BCRLYNKITPDGFRA
SCHEMBL1654077 0.91 ABL1 (0.72) ABL1BCRLYNCCNA2CDK2
SCHEMBL1654184 0.91 ABL1 (0.71) ABL1BCRLYNCCNA2CDK2
SCHEMBL1653890 0.89 ABL1 (0.69) ABL1BCRLYNCCNA2CDK2
SCHEMBL3560947 0.88 ABL1 (1.00) ABL1BCRLYNKITPDGFRA
SCHEMBL3536285 0.87 ABL1 (0.76) ABL1BCRLYNKITPDGFRA
SCHEMBL3530875 0.86 ABL1 (0.75) ABL1BCRLYNKITPDGFRA

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-7655669-B2 Pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2010-02-02 US disclosed
EP-1546127-B1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2007-08-08 EP disclosed
US-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2006-06-29 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 (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-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof TYMP, NME2, DPYD ABL1 197/4885BCR 1066/4885LYN 700/4885

“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.