SCHEMBL15087182

SCHEMBL15087182

CCc1cc(C2=NNC(O)N2c2ccc3c(c2)c(C)cn3C)c(O)cc1OP(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.34
HSP90AB1 P08238 2/20 0.34

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
SCHEMBL420154 0.78 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL421221 0.78 HSP90AA1 (0.57) HSP90AA1HSP90AB1
SCHEMBL15089018 0.72 HSP90AA1 (0.62) HSP90AA1HSP90AB1
SCHEMBL15472989 0.66 HSP90AA1 (0.38) HSP90AA1HSP90AB1
SCHEMBL27787363 0.64 HSP90AA1 (0.33) HSP90AA1HSP90AB1
SCHEMBL10345244 0.64 HTR2C (0.30)
SCHEMBL421095 0.63 HSP90AA1 (0.52) HSP90AA1HSP90AB1
SCHEMBL421467 0.63 HSP90AA1 (0.39) HSP90AA1HSP90AB1
SCHEMBL421469 0.63 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL15472990 0.61 HSP90AA1 (0.38) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130171105-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUND AND A TOPOISOMERASE II INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2013-07-04 US disclosed
US-20130171105-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUND AND A TOPOISOMERASE II INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2013-07-04 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 (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-20130171105-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUND AND A TOPOISOMERASE II INHIBITOR TOP2A, HSP90AB1, HSP90AB2P HSP90AA1 4/4885HSP90AB1 2/4885

“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.