SCHEMBL4924428

SCHEMBL4924428

Nc1nccc(-c2ccc(C(=O)N[C@H]3c4ccccc4C[C@H]3O)s2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 3/20 0.43
P2RX7 Q99572 1/20 0.42
NAMPT P43490 1/20 0.40
CHRNA7 P36544 2/20 0.40
TEC P42680 1/20 0.40
TXK P42681 1/20 0.40
BTK Q06187 1/20 0.40
ITK Q08881 1/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CDC7 O00311 1/20 0.39
HDAC3 O15379 1/20 0.38

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
SCHEMBL4926576 1.00 AKT3 (0.43) AKT3P2RX7NAMPTCHRNA7TEC
SCHEMBL4997017 0.86 AKT3 (0.53) AKT3
SCHEMBL4929201 0.81 TAS1R3 (0.51) AKT3P2RX7CNR1CNR2KDM4E
SCHEMBL4919682 0.79 TAS1R3 (0.60) CNR1CNR2KDM4EHSD17B10
SCHEMBL4928246 0.79 TAS1R3 (0.60) CNR1CNR2KDM4EHSD17B10
SCHEMBL4929466 0.72 NPC1 (0.58) AKT3TECTXKBTKITK
SCHEMBL4919817 0.70 AKT3 (0.57) AKT3HPGDCDC7HDAC3HDAC4
SCHEMBL4924499 0.69 HDAC3 (0.57) AKT3KDM4EMAPTCDC7HDAC3
SCHEMBL4929904 0.69 HDAC3 (0.57) AKT3KDM4EMAPTCDC7HDAC3
SCHEMBL4923314 0.69 KDM4E (0.55) AKT3KDM4ENPC1RAB9ASMN1; SMN2

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-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN AKT3 1872/4885P2RX7 1554/4885NAMPT 983/4885

“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.