SCHEMBL854802

SCHEMBL854802

Cc1cc2c(cn1)cc(-c1cc(NC(=S)NC(=O)C3CCCC3)ccc1C)c(=O)n2C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ABL1 P00519 2/20 0.44
POLB P06746 2/20 0.42
RECQL P46063 1/20 0.41

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
SCHEMBL10043862 0.90 KDM4E (0.48) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL10043701 0.90 KDM4E (0.56) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10043738 0.90 KDM4E (0.56) NPC1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10043867 0.89 ABL1 (0.47) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL10043871 0.87 ABL1 (0.46) ALDH1A1KDM4EHPGDHSD17B10ABL1
SCHEMBL10043963 0.87 ABL1 (0.53) ALDH1A1KDM4EHPGDHSD17B10ABL1
SCHEMBL855108 0.85 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL10043968 0.84 ABL1 (0.48) ALDH1A1KDM4EHPGDHSD17B10ABL1
SCHEMBL854945 0.83 NPC1 (0.55) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL10043837 0.83 NPC1 (0.50) RAB9ANPC1ALDH1A1KDM4EHPGD

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 RAB9A 812/4885NPC1 2533/4885ALDH1A1 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.