SCHEMBL3574740

SCHEMBL3574740

O=C1Nc2cc(C(=O)c3cccc(NC(=O)c4cccs4)c3)ccc2/C1=C/Nc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
TLK2 Q86UE8 2/20 0.46
HTT P42858 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
JAK3 P52333 2/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NTRK1 P04629 1/20 0.43
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AURKB Q96GD4 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL3574743 1.00 KCNK3 (0.47) KCNK3KCNK9TLK2HTTMAPT
SCHEMBL3575747 0.90 ALDH1A1 (0.43) KCNK3KCNK9TLK2HTTMAPT
SCHEMBL3575748 0.90 ALDH1A1 (0.43) KCNK3KCNK9TLK2HTTMAPT
SCHEMBL12044069 0.84 TLK2 (0.46) KCNK3KCNK9TLK2HTTMAPT
SCHEMBL3571783 0.79 KDR (0.48) TLK2KMT2ANTRK1AURKBRAB9A
SCHEMBL3571787 0.79 KDR (0.48) TLK2KMT2ANTRK1AURKBRAB9A
SCHEMBL12044082 0.78 TLK2 (0.51) KCNK3KCNK9TLK2HTTMAPT
SCHEMBL12044083 0.78 JAK3 (0.49) KCNK3KCNK9TLK2HTTMAPT
SCHEMBL4757933 0.77 NPC1 (0.52) MAPTKMT2ANTRK1MAPK1NPC1
SCHEMBL4757936 0.77 NPC1 (0.52) MAPTKMT2ANTRK1MAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US claimed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 EP claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 WO claimed
US-7749530-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-07-06 US disclosed
US-7692005-B2 Kinase inhibitors ALLERGAN, INC. (US) 2010-04-06 US disclosed
US-20090208557-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-20 US disclosed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 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 (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-20090208557-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KCNK3 1769/4885KCNK9 2468/4885TLK2 304/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 KCNK3 2162/4885KCNK9 3358/4885TLK2 363/4885

“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.