SCHEMBL2441832

SCHEMBL2441832

CN(C)c1cc2c(cc1Sc1nc3c(N)nccc3[nH]1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.52
HSP90AB1 P08238 1/20 0.52
TRAP1 Q12931 1/20 0.52
HSP90B1 P14625 1/20 0.43
CDC37 Q16543 3/20 0.38

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
SCHEMBL4142204 0.86 HSP90AA1 (0.50) HSP90AA1CDC37
SCHEMBL4991999 0.86 HSP90AA1 (0.50) HSP90AA1CDC37
SCHEMBL4146277 0.84 HSP90AA1 (0.53) HSP90AA1CDC37
SCHEMBL1743367 0.84 HSP90AA1 (0.53) HSP90AA1HSP90AB1CDC37
SCHEMBL1744449 0.84 HSP90AA1 (0.57) HSP90AA1HSP90B1CDC37
SCHEMBL4896589 0.84 HSP90AA1 (0.52) HSP90AA1HSP90AB1CDC37
SCHEMBL4997714 0.83 HSP90AA1 (0.54) HSP90AA1HSP90AB1TRAP1CDC37
SCHEMBL11980469 0.83 HSP90AA1 (0.52) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL1745214 0.77 HSP90AA1 (0.52) HSP90AA1HSP90B1CDC37
SCHEMBL16190149 0.74 HSP90AA1 (0.75) HSP90AA1HSP90AB1TRAP1CDC37

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-20140315929-A1 HSP90 COMBINATION THERAPY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2014-10-23 US disclosed
US-8017780-B1 Therapeutic compounds and uses thereof MYREXIS, INC. (US) 2011-09-13 US disclosed
US-8017780-B1 Therapeutic compounds and uses thereof MYREXIS, INC. (US) 2011-09-13 US disclosed
US-8017780-B1 Therapeutic compounds and uses thereof MYREXIS, INC. (US) 2011-09-13 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-20140315929-A1 HSP90 COMBINATION THERAPY HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885TRAP1 14/4885

“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.