Sugi Predict

Sugi Predict / Compounds / SCHEMBL954019

SCHEMBL954019

SCHEMBL954019

COc1ccccc1-c1nc(-c2c(C)nn3ccccc23)sc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ IKBKB O14920 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ NEK2 P51955 1/20 0.37
▸ PLK1 P53350 1/20 0.37
▸ CDC7 O00311 2/20 0.37
▸ DBF4 Q9UBU7 2/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL953764 0.91 PLK1 (0.37) HTTATMHIF1AHPGDALDH1A1
SCHEMBL951780 0.91 HIF1A (0.39) HIF1AEPAS1KDM4EHPGDSMN1; SMN2
SCHEMBL954096 0.88 CDC7 (0.46) HIF1AEPAS1KDM4EHPGDSMN1; SMN2
SCHEMBL953959 0.87 KMT2A (0.39) HTTATMKDM4EHPGDSMN1; SMN2
SCHEMBL955283 0.87 CDC7 (0.36) HTTATMKDM4EHPGDALDH1A1
SCHEMBL953082 0.86 CDC7 (0.42) HTTATMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL956417 0.86 CDC7 (0.51) JAK2PLK1CDC7DBF4CCNE1
SCHEMBL952856 0.84 CDC7 (0.54) NEK2PLK1CDC7DBF4CCNE1
SCHEMBL952868 0.84 CDC7 (0.36) KDM4ENEK2PLK1CDC7DBF4
SCHEMBL955337 0.83 CDC7 (0.46) JAK2PLK1CDC7DBF4CCNE1

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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 — — EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 — — 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 HTT 2250/4885ATM 669/4885HIF1A 2288/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 HTT 75/4885ATM 1835/4885HIF1A 106/4885

“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.