SCHEMBL3930613

SCHEMBL3930613

O=C(c1cc(Br)cc(Br)c1)c1ccnc(N2CCOCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.67
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPK13 O15264 1/20 0.49
AKT1 P31749 1/20 0.45
MTOR P42345 1/20 0.45
WNT1 P04628 5/20 0.44
GSK3B P49841 5/20 0.44
DYRK1A Q13627 5/20 0.44
KMO O15229 1/20 0.44
PRMT5 O14744 1/20 0.44
MAPK14 Q16539 3/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
AKR1C3 P42330 1/20 0.42
NPC1 O15118 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL4776885 0.85 PIK3CA (0.52) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4795402 0.81 PIK3CA (0.47) PIK3CAMTOR
SCHEMBL1255470 0.80 PIK3CA (1.00) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12639899 0.79 PIK3CA (0.76) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3554847 0.79 PIK3CA (0.76) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19160077 0.79 PIK3CA (0.76) PIK3CAALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL15819749 0.79 PIK3CA (0.97) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1516927 0.79 PIK3CA (0.76) PIK3CAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29889392 0.79 PIK3CA (0.76) PIK3CAALDH1A1KDM4EHPGDHSD17B10
Lithium Ion SCHEMBL31706550 0.78 PIK3CA (0.74) PIK3CAALDH1A1KDM4EHPGDHSD17B10

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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
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
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 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 (3 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 PIK3CA 3659/4885ALDH1A1 731/4885KDM4E 2309/4885
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 PIK3CA 3567/4885ALDH1A1 659/4885KDM4E 2283/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 PIK3CA 3607/4885ALDH1A1 489/4885KDM4E 3845/4885

“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.