Sugi Predict

Sugi Predict / Compounds / SCHEMBL14925007

SCHEMBL14925007

SCHEMBL14925007

CSc1nnc(-c2cc(C(C)C)c(C)cc2C)n1-c1cnc(N2CCOCC2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.37
▸ HSP90AB1 P08238 3/20 0.37
▸ PIK3R1 P27986 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ MTOR P42345 2/20 0.36
▸ AOC3 Q16853 5/20 0.35
▸ KCNH2 Q12809 3/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL14925012 0.83 ALDH1A1 (0.39) HSP90AA1HSP90AB1PIK3R1PIK3CAMTOR
SCHEMBL14925013 0.83 HSP90AA1 (0.36) HSP90AA1HSP90AB1PIK3R1PIK3CAMTOR
SCHEMBL14029892 0.82 HSP90AB1 (0.35) HSP90AA1HSP90AB1PIK3CAMTORALDH1A1
SCHEMBL14924971 0.80 MAPT (0.41) HSP90AA1HSP90AB1KCNH2ALDH1A1TSHR
SCHEMBL14925008 0.79 HSP90AA1 (0.47) HSP90AA1HSP90AB1PIK3R1PIK3CAMTOR
SCHEMBL14925020 0.79 HSP90AA1 (0.60) HSP90AA1HSP90AB1PIK3R1PIK3CAMTOR
SCHEMBL14925042 0.74 MAPT (0.43) HSP90AA1HSP90AB1ALDH1A1MEN1KMT2A
SCHEMBL14780814 0.74 HSP90AB1 (0.35) HSP90AA1HSP90AB1PIK3CAMTORALDH1A1
SCHEMBL14925060 0.72 MAPT (0.43) AOC3ALDH1A1TSHRMEN1KMT2A
SCHEMBL14925000 0.70 TLR8 (0.46) HSP90AA1HSP90AB1ALDH1A1TSHRMEN1

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-20130116251-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
US-20130116252-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
US-20130116431-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US disclosed
US-20130116253-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — 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 (4 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-20130116252-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885PIK3R1 1251/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885PIK3R1 1251/4885
US-20130116251-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885PIK3R1 1251/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885PIK3R1 1251/4885

“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.