SCHEMBL13938482

SCHEMBL13938482

COc1cc2c(cc1OCCCN1CCN(C)CC1)[nH]c1ncnc(N3CCN(C(=S)Nc4ccc(NS(=O)(=O)C5CC5)cc4)CC3)c12

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.63
AURKA O14965 2/20 0.63
CDK1 P06493 1/20 0.63
MAP2K6 P52564 1/20 0.63
PDGFRB P09619 16/20 0.54
PDGFRA P16234 1/20 0.50

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
SCHEMBL13938509 0.95 KIT (0.63) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13938457 0.91 KIT (0.72) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13938485 0.90 KIT (0.69) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13938483 0.89 KIT (0.68) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13938529 0.89 KIT (0.61) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13938477 0.89 KIT (0.60) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13938479 0.88 KIT (0.63) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL14196201 0.88 KIT (0.62) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13938480 0.88 KIT (0.62) KITAURKACDK1MAP2K6PDGFRB
SCHEMBL13938469 0.88 KIT (0.67) KITAURKACDK1MAP2K6PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029982-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2009-01-29 US disclosed
US-20090029982-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2009-01-29 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 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 (2 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-20080207632-A1 PROTEIN KINASE INHIBITORS ERBB3, ERBB2, AXL KIT 960/4885AURKA 5/4885CDK1 14/4885
US-20090029982-A1 PROTEIN KINASE INHIBITORS CDK2, PACSIN2, AKT1 KIT 1337/4885AURKA 339/4885CDK1 26/4885

“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.