SCHEMBL618561

SCHEMBL618561

COc1cc(OC)c2cnc(-c3ccc(N4CCN(CCO)CC4)cc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.49
TLR9 Q9NR96 3/20 0.45
NTSR1 P30989 2/20 0.45
HTR2A P28223 1/20 0.44
TGFBR1 P36897 1/20 0.43
ACVR1 Q04771 1/20 0.43
PRKDC P78527 1/20 0.43
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
FGFR1 P11362 2/20 0.41
ALK Q9UM73 3/20 0.41
DRD2 P14416 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MTOR P42345 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL30459652 0.83 TGFBR1 (0.54) MAP4K1TGFBR1ACVR1
SCHEMBL15328156 0.83 TGFBR1 (0.54) MAP4K1TGFBR1ACVR1
SCHEMBL1304918 0.83 MTOR (0.52) MAP4K1TLR9NTSR1TGFBR1ACVR1
SCHEMBL619713 0.83 ACHE (0.49) NTSR1DRD2KMT2A
SCHEMBL15328365 0.80 CHRNB2 (0.51) MAP4K1TGFBR1ACVR1
SCHEMBL617698 0.79 CHKA (0.49) MAP4K1TGFBR1ACVR1FGFR1FGFR4
SCHEMBL618467 0.79 MEN1 (0.49) MEN1KMT2A
SCHEMBL615975 0.77 EHMT2 (0.40) TLR9NTSR1TGFBR1FGFR1MEN1
SCHEMBL1304390 0.77 PDGFRB (0.51) MEN1KMT2A
SCHEMBL617761 0.77 TGFBR1 (0.48) MAP4K1NTSR1TGFBR1ACVR1FGFR1

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-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 US disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 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 (5 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-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 MAP4K1 1470/4885TLR9 384/4885NTSR1 3565/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 MAP4K1 1353/4885TLR9 415/4885NTSR1 3788/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 MAP4K1 1353/4885TLR9 415/4885NTSR1 3788/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 MAP4K1 1470/4885TLR9 384/4885NTSR1 3565/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 MAP4K1 1470/4885TLR9 384/4885NTSR1 3565/4885

“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.