SCHEMBL4776885

SCHEMBL4776885

CS(=O)(=O)Nc1cc(Br)cc(C(=O)c2ccnc(N3CCOCC3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.52
MAPK13 O15264 1/20 0.45
RAF1 P04049 7/20 0.45
BRAF P15056 7/20 0.45
MTOR P42345 3/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK14 Q16539 3/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3R1 P27986 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
SCHEMBL4796230 0.90 KDM4E (0.41) PIK3CARAF1KDM4EHPGDMAPK14
SCHEMBL4774759 0.88 MEN1 (0.40) PIK3CAMAPK13RAF1BRAFKDM4E
SCHEMBL3930613 0.85 PIK3CA (0.67) PIK3CAMAPK13MTORKDM4EALDH1A1
SCHEMBL4781403 0.80 ATR (0.51) PIK3CARAF1BRAFMTORPIK3R1
SCHEMBL3937437 0.77 CYP3A4 (0.38) ALDH1A1CYP1A2CYP3A4
SCHEMBL3925104 0.76 KCNK3 (0.41) ALDH1A1HPGDMEN1CYP1A2CYP3A4
SCHEMBL4776483 0.76 CYP1A2 (0.46) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C19
SCHEMBL3937931 0.75 LMNA (0.49) ALDH1A1HPGDMEN1KMT2A
SCHEMBL30633561 0.72 MET (0.45) PIK3CAMTORALDH1A1JAK2JAK3
SCHEMBL12639899 0.71 PIK3CA (0.76) PIK3CAMAPK13RAF1BRAFKDM4E

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 2 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 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 (1 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-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 PIK3CA 3607/4885MAPK13 2409/4885RAF1 498/4885

“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.