SCHEMBL854572

SCHEMBL854572

Cc1cc2c(cn1)cc(-c1cc(NC(=S)NNC(=O)c3ccccc3)ccc1C)c(=O)n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
RAB9A P51151 10/20 0.46
ALDH1A1 P00352 8/20 0.46
NPC1 O15118 7/20 0.46
MAPT P10636 6/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
GAA P10253 10/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL854945 0.93 NPC1 (0.55) SYKRAB9AALDH1A1NPC1MAPT
SCHEMBL855300 0.92 SYK (0.49) SYKRAB9AALDH1A1NPC1MAPT
SCHEMBL10043699 0.91 SYK (0.57) SYKRAB9AALDH1A1NPC1MAPT
SCHEMBL10043850 0.87 SYK (0.50) SYKRAB9AALDH1A1NPC1MAPT
SCHEMBL502363 0.87 SYK (0.45) SYKRAB9AALDH1A1NPC1MAPT
SCHEMBL12400236 0.86 SYK (0.47) SYKRAB9AALDH1A1NPC1MAPT
SCHEMBL10043821 0.84 SYK (0.49) SYKRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL10043705 0.84 MAPT (0.54) SYKRAB9AALDH1A1NPC1MAPT
SCHEMBL10072186 0.83 SYK (0.55) SYKRAB9AALDH1A1NPC1MAPT
SCHEMBL10043735 0.82 SYK (0.48) SYKRAB9AMAPTGAAL3MBTL1

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 566/4885RAB9A 812/4885ALDH1A1 858/4885

“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.