SCHEMBL855108

SCHEMBL855108

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
KDM4E B2RXH2 2/20 0.41
SYK P43405 1/20 0.39
HPGD P15428 4/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.37
ALOX12 P18054 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
FGFR4 P22455 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL10043858 0.91 SYK (0.40) ALDH1A1KDM4ESYKHPGDMAPT
SCHEMBL27945326 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL854945 0.85 NPC1 (0.55) ALDH1A1KDM4ESYKHPGDMAPT
SCHEMBL854802 0.85 RAB9A (0.55) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL12400251 0.83 SYK (0.39) SYKMAPTNPC1RAB9AFGFR4
SCHEMBL10043829 0.83 SYK (0.41) SYKMAPTNPC1RAB9AFGFR4
SCHEMBL854572 0.82 SYK (0.49) ALDH1A1KDM4ESYKHPGDMAPT
SCHEMBL10043828 0.81 RAB9A (0.48) KDM4ESYKMAPTNPC1RAB9A
SCHEMBL10043835 0.81 HTR2A (0.43) KDM4ESYKMAPTNPC1RAB9A
SCHEMBL10043865 0.80 SYK (0.38) SYKMAPTNPC1RAB9ALMNA

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 9 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
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
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

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 ALDH1A1 858/4885KDM4E 1806/4885SYK 566/4885

“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.