SCHEMBL854868

SCHEMBL854868

Cc1cc2c(cn1)cc(-c1cc(NC(=O)NNC(=O)CC(C)C)ccc1C)c(=O)n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
KRAS P01116 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
FGFR4 P22455 2/20 0.36
MAPK14 Q16539 2/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 1/20 0.35
SRC P12931 2/20 0.34
FGFR1 P11362 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABL1 P00519 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10043829 0.85 SYK (0.41) SYKKRASRAF1BRAFFGFR4
SCHEMBL10043828 0.84 RAB9A (0.48) SYKKRASRAF1BRAFMAPK14
SCHEMBL10043824 0.84 MAPT (0.42) SYKKRASRAF1BRAFFGFR4
SCHEMBL10043858 0.83 SYK (0.40) SYKKRASRAF1BRAFFGFR4
SCHEMBL10043835 0.83 HTR2A (0.43) SYKKRASRAF1BRAFRAB9A
SCHEMBL855300 0.83 SYK (0.49) SYKRAF1BRAFMAPK14RAB9A
SCHEMBL10043821 0.82 SYK (0.49) SYKMAPK14RAB9ANPC1MAPT
SCHEMBL12400251 0.82 SYK (0.39) SYKKRASRAF1BRAFFGFR4
SCHEMBL10043719 0.81 ALDH1A1 (0.46) SYKMAPK14RAB9ANPC1MAPT
SCHEMBL10043865 0.81 SYK (0.38) SYKKRASRAF1BRAFFGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278452-B2 Heterocyclic compounds and compositions as c-kit and PDGFR kinase inhibitors IRM LLC (BM) 2012-10-02 US disclosed
US-8278452-B2 Heterocyclic compounds and compositions as c-kit and PDGFR kinase inhibitors IRM LLC (BM) 2012-10-02 US disclosed
EP-2252612-B1 HETEROCYCLIC COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2012-03-28 EP disclosed
US-20110183997-A1 HETEROCYCLIC COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2011-07-28 US disclosed
US-20110183997-A1 HETEROCYCLIC COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2011-07-28 US disclosed
EP-2252612-A1 HETEROCYCLIC COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2010-11-24 EP disclosed
WO-2009105712-A1 HETEROCYCLIC COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2009-08-27 WO disclosed
WO-2009105712-A1 HETEROCYCLIC COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS IRM LLC (BM) 2009-08-27 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 (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-20110183997-A1 HETEROCYCLIC COMPOUNDS AND COMPOSITIONS AS C-KIT AND PDGFR KINASE INHIBITORS KIT, PDGFRA, PDGFRB SYK 566/4885KRAS 224/4885RAF1 100/4885

“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.