SCHEMBL3530581

SCHEMBL3530581

Cc1cn(-c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2C(F)(F)F)cn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 17/20 0.74
PDGFRA P16234 11/20 0.73
PDGFRB P09619 9/20 0.73
KIT P10721 8/20 0.73
BCR P11274 8/20 0.73
LYN P07948 5/20 0.73
LCK P06239 4/20 0.73
FLT3 P36888 4/20 0.73
DDR2 Q16832 4/20 0.73
LDLR P01130 2/20 0.73
PCSK9 Q8NBP7 2/20 0.73
ADORA3 P0DMS8 2/20 0.73
EPHB6 O15197 1/20 0.73
CA12 O43570 1/20 0.73
CACNA1F O60840 1/20 0.73
SLC22A3 O75751 1/20 0.73
STK10 O94804 1/20 0.73
CA1 P00915 1/20 0.73
CA2 P00918 1/20 0.73
RAF1 P04049 1/20 0.73

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
SCHEMBL1653907 0.97 ABL1 (0.75) ABL1PDGFRAPDGFRBKITBCR
SCHEMBL3536285 0.91 ABL1 (0.76) ABL1PDGFRAPDGFRBKITBCR
SCHEMBL3530749 0.89 ABL1 (0.74) ABL1PDGFRAPDGFRBKITBCR
SCHEMBL1653557 0.88 PDGFRA (0.72) ABL1PDGFRAPDGFRBKITBCR
SCHEMBL27549071 0.88 PDGFRA (0.74) ABL1PDGFRAPDGFRBKITBCR
SCHEMBL3532229 0.87 ABL1 (0.76) ABL1PDGFRAPDGFRBKITBCR
SCHEMBL3526105 0.86 ABL1 (0.75) ABL1PDGFRAPDGFRBKITBCR
SCHEMBL3530875 0.86 ABL1 (0.75) ABL1PDGFRAPDGFRBKITBCR
SCHEMBL1654178 0.86 PDGFRA (0.70) ABL1PDGFRAPDGFRBKITBCR
SCHEMBL3528980 0.86 ABL1 (0.79) ABL1PDGFRAPDGFRBKITBCR

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 197/4885PDGFRA 366/4885PDGFRB 454/4885

“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.