SCHEMBL845034

SCHEMBL845034

CCOC(=O)NC(=O)N(S)c1ccc(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
RAB9A P51151 6/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
S1PR1 P21453 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 3/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL3228237 0.81 ALDH1A1 (0.38) MAPTMAPK1HTTALDH1A1SMN1; SMN2
SCHEMBL41446 0.77 ALDH1A1 (0.38) RAB9AMAPTKMT2AMAPK1ALDH1A1
SCHEMBL3585802 0.74 KMT2A (0.37) RAB9AMAPTKMT2AMEN1LMNA
SCHEMBL2251909 0.74 SMN1; SMN2 (0.43) RAB9AMAPTMAPK1HTTALDH1A1
SCHEMBL28557994 0.72 GAA (0.45) RAB9AMAPTKMT2AMAPK1LMNA
SCHEMBL3596324 0.72 SMN1; SMN2 (0.39) MAPTKMT2AMAPK1MEN1NPSR1
SCHEMBL24100191 0.71 GBA1 (0.53) GBA1RAB9AMAPTKMT2AMAPK1
SCHEMBL2634412 0.71 SMN1; SMN2 (0.45) RAB9AMAPTKMT2AMAPK1NPSR1
SCHEMBL11188970 0.71 USP2 (0.40) RAB9AMAPTKMT2AMEN1LMNA
SCHEMBL8986532 0.71 RAB9A (0.59) RAB9AMAPTKMT2AMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222674-B1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2015-11-11 EP disclosed
US-8865699-B2 Amino triazoles as PI3K inhibitors CELLZOME LTD. (GB) 2014-10-21 US disclosed
US-8633173-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC (US) 2014-01-21 US disclosed
US-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. 2013-11-07 US disclosed
US-8501936-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC. (US) 2013-08-06 US disclosed
US-8367830-B2 Methods for the identification of phosphatidylinositol kinase interacting molecules and for the purification of phosphatidylinositol kinase proteins CELLZOME AG (DE) 2013-02-05 US disclosed
US-20120135421-A1 METHODS FOR THE IDENTIFICATION OF PHOSPHATIDYLINOSITOL KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF PHOSPHATIDYLINOSITOL KINASE PROTEINS CELLZOME AG (DE) 2012-05-31 US disclosed
EP-2438066-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a]PYRIDINE DERIVATIVES Cephalon, Inc. (US) 2012-04-11 EP disclosed
EP-2432782-A1 METHODS FOR THE IDENTIFICATION OF PHOSPHATIDYLINOSITOL KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF PHOSPHATIDYLINOSITOL KINASE PROTEINS CELLZOME AG (DE) 2012-03-28 EP disclosed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US disclosed
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. (US) 2010-12-09 US disclosed
WO-2010141796-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a] PYRIDINE DERIVATIVES CEPHALON, INC. (US) 2010-12-09 WO disclosed
WO-2010133318-A1 METHODS FOR THE IDENTIFICATION OF PHOSPHATIDYLINOSITOL KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF PHOSPHATIDYLINOSITOL KINASE PROTEINS CELLZOME AG (DE) 2010-11-25 WO disclosed
EP-2222674-A1 AMINO TRIAZOLES AS PI3K INHIBITORS Cellzome Limited (GB) 2010-09-01 EP disclosed
WO-2009068482-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2009-06-04 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 (4 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-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives JAK2, JAK1, JAK3 GBA1 3188/4885RAB9A 2387/4885MAPT 4573/4885
US-20120135421-A1 METHODS FOR THE IDENTIFICATION OF PHOSPHATIDYLINOSITOL KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF PHOSPHATIDYLINOSITOL KINASE PROTEINS PIP4K2B, PIP4K2C, PI4KB GBA1 4258/4885RAB9A 2753/4885MAPT 4818/4885
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CCNA1, CCNY, RB1 GBA1 2810/4885RAB9A 1692/4885MAPT 3854/4885
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS PIK3C3, PIK3R3, PIK3R5 GBA1 3625/4885RAB9A 1855/4885MAPT 3006/4885

“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.