SCHEMBL14707305

SCHEMBL14707305

c1ccc2cc(Oc3nc(Nc4ccc(N5CCOCC5)cc4)c4ncn(C5CCCCC5)c4n3)ccc2c1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCTR P47872 9/20 0.76
SMO Q99835 1/20 0.76
FLT3 P36888 9/20 0.57
PDGFRA P16234 2/20 0.56

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
SCHEMBL14075703 0.89 SCTR (0.67) SCTRSMOFLT3PDGFRA
SCHEMBL14075684 0.89 SCTR (0.71) SCTRSMOFLT3PDGFRA
Purmorphamine SCHEMBL29358352 0.86 SCTR (1.00) SCTRSMOFLT3PDGFRA
Purmorphamine SCHEMBL1548273 0.86 SCTR (1.00) SCTRSMOFLT3PDGFRA
SCHEMBL14075696 0.85 SCTR (0.98) SCTRSMOFLT3PDGFRA
SCHEMBL14075697 0.84 SCTR (0.95) SCTRSMOFLT3PDGFRA
Naphthalene SCHEMBL28900683 0.82 SCTR (0.66) SCTRSMOFLT3PDGFRA
SCHEMBL16367807 0.80 SCTR (0.89) SCTRSMOFLT3PDGFRA
SCHEMBL14075693 0.80 FLT3 (0.67) SCTRSMOFLT3PDGFRA
SCHEMBL14075691 0.79 SCTR (0.74) SCTRSMOFLT3PDGFRA

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-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2014-03-13 US disclosed
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2014-03-13 US disclosed
US-20130045240-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2013-02-21 US disclosed
US-20130045240-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS ABRAXIS BIOSCIENCE, LLC (US) 2013-02-21 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-20130045240-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO SCTR 4057/4885SMO 3/4885FLT3 2835/4885
US-20140072630-A1 COMBINATION THERAPY WITH NANOPARTICLE COMPOSITIONS OF TAXANE AND HEDGEHOG INHIBITORS SHH, GLI1, SMO SCTR 4057/4885SMO 3/4885FLT3 2835/4885

“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.