SCHEMBL4780029

SCHEMBL4780029

COC(=O)Nc1cc(Nc2ccnc(OC)c2)cc(-c2cccc3occc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
FADS1 O60427 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
SYK P43405 2/20 0.36
TGFBR1 P36897 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PLCG1 P19174 1/20 0.34
SORT1 Q99523 1/20 0.34
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
KDR P35968 1/20 0.34
EGFR P00533 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
WNT3A P56704 1/20 0.33
PIK3CD O00329 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
SCHEMBL3931027 0.85 KCNK3 (0.42) CNR1KCNK3KCNK9SYKHDAC4
SCHEMBL4780033 0.84 KCNK3 (0.39) CNR1KCNK3KCNK9FADS1JAK2
SCHEMBL4163525 0.83 HPGDS (0.45) CNR1TGFBR1PIK3CDPIK3CAPIK3CB
SCHEMBL3931030 0.74 KCNK3 (0.43) CNR1KCNK3KCNK9HDAC4HDAC6
SCHEMBL4793442 0.69 HPGDS (0.45) CNR1KCNK3KCNK9PLCG1PIK3CD
SCHEMBL3930172 0.68 ATR (0.44) PIK3CDPIK3CA
SCHEMBL3929384 0.66 HPGDS (0.43) CNR1KCNK3KCNK9PLCG1PIK3CD
SCHEMBL3938224 0.65 HPGDS (0.54) PLCG1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4156340 0.65 HPGDS (0.48) PLCG1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15890248 0.63 POLB (0.56) KCNK3KCNK9SORT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US claimed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO claimed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 US claimed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 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-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 CNR1 233/4885KCNK3 1797/4885KCNK9 3554/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 CNR1 202/4885KCNK3 1938/4885KCNK9 3675/4885

“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.