Sugi Predict

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SCHEMBL6842790

SCHEMBL6842790

Cc1nn2ccccc2c1-c1nc(-c2cnc3ccccc3c2)c(-c2nc[nH]n2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ABL1 P00519 3/20 0.33
▸ SRC P12931 3/20 0.33
▸ PIM1 P11309 5/20 0.33
▸ PIM3 Q86V86 4/20 0.33
▸ PIM2 Q9P1W9 3/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ PIK3CA P42336 2/20 0.31
▸ MTOR P42345 2/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ HCK P08631 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 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
SCHEMBL6842797 0.87 CDK8 (0.36) ABL1SRCKDM5BBRD4PIK3CA
SCHEMBL6842801 0.86 VCP (0.33) VCP
SCHEMBL6842795 0.85 MAPK14 (0.35) KDRVCP
SCHEMBL6842651 0.83 PTGS2 (0.33) MAPTVCP
SCHEMBL6842716 0.83 VCP (0.32) VCP
SCHEMBL955918 0.82 VCP (0.35) VCP
SCHEMBL12918261 0.82 VCP (0.36) NPC1ALDH1A1RAB9AKDM5BVCP
SCHEMBL6842794 0.82 VCP (0.33) MAPTVCP
SCHEMBL6845056 0.82 PIK3CD (0.33) PIK3CDVCP
SCHEMBL6842809 0.81 EGFR (0.32) EGFRVCP

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 PPARD 804/4885NPC1 458/4885ALDH1A1 1687/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PPARD 603/4885NPC1 1316/4885ALDH1A1 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.