Sugi Predict

Sugi Predict / Compounds / SCHEMBL953569

SCHEMBL953569

SCHEMBL953569

COC(=O)c1sc(-c2c(C)nn3ccccc23)nc1-c1c(Cl)cccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ CDC7 O00311 2/20 0.35
▸ DBF4 Q9UBU7 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CTSA P10619 3/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ POLQ O75417 1/20 0.33
▸ GAA P10253 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
SCHEMBL957443 0.93 TSHR (0.39) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL956374 0.92 KMT2A (0.39) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL953959 0.91 KMT2A (0.39) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL953252 0.89 ALDH1A1 (0.38) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL951855 0.89 TSHR (0.36) KMT2AMAPTHPGDMEN1TSHR
SCHEMBL958092 0.86 TRPM8 (0.38) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL956093 0.85 SMN1; SMN2 (0.38) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL953824 0.84 NPC1 (0.37) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL953764 0.84 PLK1 (0.37) KMT2AMAPTALDH1A1HPGDMEN1
SCHEMBL953230 0.81 LMNA (0.39) KMT2AMAPTALDH1A1MEN1TSHR

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 KMT2A 2441/4885MAPT 2049/4885ALDH1A1 1687/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 KMT2A 2459/4885MAPT 4530/4885ALDH1A1 728/4885

“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.