SCHEMBL4092436

SCHEMBL4092436

COc1cc2c(cc1OCCCN1CCN(C)CC1)[nH]c1ncnc(N3CCNCC3)c12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.52
TLR7 Q9NYK1 4/20 0.52
KIT P10721 4/20 0.49
MAP2K7 O14733 2/20 0.47
SPIN1 Q9Y657 2/20 0.46
PDGFRA P16234 1/20 0.46
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
EGFR P00533 5/20 0.45
ENPP1 P22413 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
AURKA O14965 1/20 0.44

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
SCHEMBL20581274 0.87 SPIN1 (0.59) TLR9TLR7KITMAP2K7SPIN1
SCHEMBL2392382 0.87 MAP2K7 (0.58) KITMAP2K7PDGFRAACHEBACE1
SCHEMBL20580814 0.86 SPIN1 (0.58) TLR9TLR7KITMAP2K7SPIN1
SCHEMBL14196201 0.81 KIT (0.62) KITPDGFRAAURKA
SCHEMBL13938480 0.81 KIT (0.62) KITPDGFRAAURKA
SCHEMBL13962610 0.80 KIT (0.61) KITPDGFRAAURKA
SCHEMBL13938479 0.79 KIT (0.63) KITPDGFRAAURKA
SCHEMBL13938485 0.78 KIT (0.69) KITPDGFRAAURKA
SCHEMBL13938483 0.78 KIT (0.68) KITPDGFRAAURKA
SCHEMBL13938477 0.77 KIT (0.60) KITPDGFRAAURKA

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 5 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-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 US disclosed
WO-2008055233-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-08 WO disclosed
EP-1888588-A2 PROTEIN KINASE INHIBITORS SuperGen, Inc. (US) 2008-02-20 EP disclosed
WO-2006116733-A2 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2006-11-02 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 (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 TLR9 4118/4885TLR7 4124/4885KIT 960/4885
US-20090029982-A1 PROTEIN KINASE INHIBITORS CDK2, PACSIN2, AKT1 TLR9 4363/4885TLR7 4380/4885KIT 1337/4885

“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.