SCHEMBL6842744

SCHEMBL6842744

Cc1nn2ccc(OCCNC(=O)C(C)(C)C)cc2c1-c1nc(-c2ccccc2)c(-c2nnc[nH]2)s1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
BRD4 O60885 3/20 0.32
TP53 P04637 3/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
SCD O00767 1/20 0.31
ACSS2 Q9NR19 1/20 0.30
CNR1 P21554 1/20 0.30
KLKB1 P03952 1/20 0.30
NR2F2 P24468 1/20 0.30

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
SCHEMBL6842754 0.92 ACSS2 (0.36) MAPTKDM4EACSS2CNR1KLKB1
SCHEMBL953036 0.89 MAPT (0.33) MAPTBRD4TP53KDM4ESMN1; SMN2
SCHEMBL6842737 0.88 MEN1 (0.34) MAPTBRD4TP53KDM4ESMN1; SMN2
SCHEMBL952612 0.88 ROCK1 (0.32) ACSS2
SCHEMBL13256711 0.88 KDM4E (0.31) KDM4E
SCHEMBL6842755 0.87 CNR1 (0.34) KDM4ECNR1KLKB1
SCHEMBL13256642 0.85 FGFR1 (0.31)
SCHEMBL16937964 0.85 MAPK14 (0.34) ACSS2CNR1KLKB1
SCHEMBL952462 0.84 MAPK14 (0.34) ACSS2CNR1KLKB1
SCHEMBL958147 0.83 PPARD (0.34) BRD4SCD

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
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

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 MAPT 2049/4885BRD4 1202/4885TP53 713/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MAPT 4530/4885BRD4 1047/4885TP53 1415/4885

“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.