Sugi Predict

Sugi Predict / Compounds / SCHEMBL6842726

SCHEMBL6842726

SCHEMBL6842726

Cc1nnc(-c2sc(-c3c(C)nn4ccsc34)nc2-c2ccccc2)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.32
▸ CDC7 O00311 1/20 0.31
▸ DBF4 Q9UBU7 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PPARG P37231 1/20 0.31

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
Acetic Acid SCHEMBL952870 0.95 ADORA2A (0.33) KDM4EALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL6842718 0.85 KDM5B (0.32) KDM4EALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL954635 0.85 CDC7 (0.33) KDM4EALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL958045 0.83 MTOR (0.36) KDM4EALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL13257022 0.82 KDM4E (0.55) KDM4EALDH1A1CYP1A2LMNANPC1
Acetic Acid SCHEMBL953502 0.81 KDM5B (0.32) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL958297 0.81 PDPK1 (0.39) KDM4EALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL6842778 0.80 CYP1A1 (0.32) KDM4EALDH1A1CYP1A2LMNANPC1
SCHEMBL957740 0.80 COMT (0.51) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL6842784 0.79 KDM5B (0.32) KDM4EALDH1A1LMNANPC1RAB9A

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 9 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-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
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US 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
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 KDM4E 1981/4885ALDH1A1 1687/4885MEN1 794/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 KDM4E 2304/4885ALDH1A1 728/4885MEN1 1649/4885

“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.