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SCHEMBL6842754

SCHEMBL6842754

CC(=O)NCCOc1ccn2nc(C)c(-c3nc(-c4ccccc4)c(-c4nnc[nH]4)s3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.36
▸ MTNR1A P48039 6/20 0.35
▸ MTNR1B P49286 6/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ IKBKB O14920 1/20 0.31
▸ CHUK O15111 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KLKB1 P03952 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ NR3C1 P04150 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
SCHEMBL6842744 0.92 MAPT (0.34) ACSS2CNR1KDM4EMAPTKLKB1
SCHEMBL952612 0.89 ROCK1 (0.32) ACSS2PPARD
SCHEMBL13256711 0.89 KDM4E (0.31) KDM4EALDH1A1PPARD
SCHEMBL16937967 0.89 ACSS2 (0.36) ACSS2MTNR1AMTNR1BL3MBTL1LMNA
SCHEMBL6842755 0.89 CNR1 (0.34) CNR1KDM4EALDH1A1KLKB1PIK3CA
SCHEMBL951939 0.88 ACSS2 (0.37) ACSS2MTNR1AMTNR1BL3MBTL1LMNA
SCHEMBL13256642 0.87 FGFR1 (0.31) —
SCHEMBL6842765 0.85 SIGMAR1 (0.38) —
SCHEMBL958147 0.85 PPARD (0.34) RAB9APPARD
SCHEMBL6842766 0.83 HRH3 (0.35) CNR1

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 8 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

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 ACSS2 1840/4885MTNR1A 3279/4885MTNR1B 2695/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 ACSS2 482/4885MTNR1A 1065/4885MTNR1B 806/4885

“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.