SCHEMBL1052371

SCHEMBL1052371

CC1(C)CC(CN2C(=O)Cc3c(Cl)nc(N)nc32)CC(C)(C)N1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRAP1 Q12931 9/20 0.46
▸ HSP90B1 P14625 7/20 0.46
▸ HSP90AA1 P07900 5/20 0.45

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
SCHEMBL1054374 0.77 TRAP1 (0.52) TRAP1HSP90B1HSP90AA1
SCHEMBL27811496 0.75 LMNA (0.30) —
SCHEMBL12613677 0.70 TLK2 (0.30) —
SCHEMBL1080775 0.70 ALDH1A1 (0.35) —
SCHEMBL1080773 0.70 ALDH1A1 (0.35) —
SCHEMBL1080771 0.70 ALDH1A1 (0.35) —
SCHEMBL1052264 0.66 TRAP1 (0.73) TRAP1HSP90B1HSP90AA1
SCHEMBL1057826 0.65 TRAP1 (0.59) TRAP1HSP90B1HSP90AA1
SCHEMBL1059998 0.65 TRAP1 (0.54) TRAP1HSP90B1HSP90AA1
SCHEMBL1060933 0.65 HSP90AA1 (0.56) TRAP1HSP90B1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 — — US disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 — — US disclosed
US-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 — — US disclosed
EP-2273882-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES Poniard Pharmaceuticals, Inc. (US) 2011-01-19 — — EP disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 — — WO disclosed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 — — 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 TRAP1 443/4885HSP90B1 1036/4885HSP90AA1 1418/4885

“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.

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