SCHEMBL519912

SCHEMBL519912

CCCS(=O)(=O)Nc1cccc(B(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.48
KDR P35968 2/20 0.48
AURKB Q96GD4 2/20 0.48
BRD4 O60885 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 2/20 0.43
LRRK2 Q5S007 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NLRP3 Q96P20 1/20 0.42
LPL P06858 2/20 0.42
LIPG Q9Y5X9 2/20 0.42
NAMPT P43490 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.41
PTPN5 P54829 1/20 0.40
KIT P10721 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
SCHEMBL29954021 0.91 AURKA (0.50) AURKAKDRAURKBBRD4NLRP3
SCHEMBL519364 0.89 NLRP3 (0.45) AURKAKDRAURKBBRD4SMN1; SMN2
SCHEMBL19893801 0.85 TRPV1 (0.39) AURKAKDRAURKBNPC1NLRP3
SCHEMBL693060 0.82 ADRB3 (0.39) AURKAKDRAURKBBRD4NPC1
SCHEMBL28216263 0.80 HSD17B2 (0.51) AURKAKDRAURKBBRD4SMN1; SMN2
SCHEMBL20098109 0.80 KIT (0.50) AURKAKDRAURKBBRD4SMN1; SMN2
SCHEMBL173028 0.79 ALDH1A1 (0.56) AURKAKDRAURKBBRD4SMN1; SMN2
SCHEMBL10192115 0.78 SMN1; SMN2 (0.55) AURKAKDRAURKBBRD4SMN1; SMN2
SCHEMBL16868361 0.76 BRD4 (0.49) AURKAKDRAURKBBRD4SMN1; SMN2
SCHEMBL411794 0.76 POLB (0.55) AURKAKDRAURKBBRD4SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 AURKA 161/4885KDR 492/4885AURKB 122/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 AURKA 161/4885KDR 492/4885AURKB 122/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 AURKA 451/4885KDR 527/4885AURKB 520/4885

“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.