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Sugi Predict / Compounds / SCHEMBL14924993

SCHEMBL14924993

SCHEMBL14924993

Cc1cc(C)c(-c2n[nH]c(=O)n2-c2ccc(CN3CCOCC3)cc2)cc1CC#C[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.43
▸ HSP90AA1 P07900 4/20 0.39
▸ HSP90AB1 P08238 4/20 0.39
▸ PARP1 P09874 2/20 0.38
▸ TNKS O95271 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ ILK Q13418 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ KDR P35968 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
SCHEMBL14924973 0.92 CHEK1 (0.43) CHEK1HSP90AA1HSP90AB1PARP1TNKS
SCHEMBL14048015 0.84 RAB9A (0.42) CHEK1HSP90AA1HSP90AB1SMN1; SMN2KDM4E
SCHEMBL14029843 0.83 NPC1 (0.41) CHEK1HSP90AA1HSP90AB1SMN1; SMN2MAPT
SCHEMBL14924931 0.81 POLB (0.37) CHEK1PARP1SMN1; SMN2JAK2DYRK1A
SCHEMBL14924968 0.81 HSP90AA1 (0.53) CHEK1HSP90AA1HSP90AB1PARP1MAPT
SCHEMBL14029831 0.81 HSP90AA1 (0.47) CHEK1HSP90AA1HSP90AB1PARP1
SCHEMBL14047910 0.78 HSP90AA1 (0.51) CHEK1HSP90AA1HSP90AB1
SCHEMBL14048022 0.78 HSP90AA1 (0.53) CHEK1HSP90AA1HSP90AB1PARP1TNKS
SCHEMBL14927539 0.78 TNKS (0.38) CHEK1HSP90AA1PARP1TNKSSMN1; SMN2
SCHEMBL14029842 0.77 HSP90AA1 (0.47) CHEK1HSP90AA1HSP90AB1PARP1JAK2

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-20130116252-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
US-20130116251-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

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 CHEK1 878/4885HSP90AA1 4/4885HSP90AB1 1/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 CHEK1 878/4885HSP90AA1 4/4885HSP90AB1 1/4885
US-20130116251-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 CHEK1 878/4885HSP90AA1 4/4885HSP90AB1 1/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 CHEK1 878/4885HSP90AA1 4/4885HSP90AB1 1/4885

“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.