SCHEMBL4337042

SCHEMBL4337042

COC(=O)c1nc(Cl)c(Cl)c(F)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
KDM4C Q9H3R0 1/20 0.38
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
MAPT P10636 4/20 0.36
ATM Q13315 2/20 0.36
PKM P14618 2/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
ALPL P05186 1/20 0.34
POLB P06746 1/20 0.33
RCE1 Q9Y256 1/20 0.33
CGAS Q8N884 1/20 0.33
MEN1 O00255 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL4340923 0.82 NPSR1 (0.56) NPSR1KDM4CALDH1A1KDM4ESMN1; SMN2
SCHEMBL29705231 0.82 NPSR1 (0.56) NPSR1KDM4CALDH1A1KDM4ESMN1; SMN2
SCHEMBL29556415 0.80 NPSR1 (0.45) NPSR1KDM4CALDH1A1KDM4ESMN1; SMN2
SCHEMBL1424149 0.80 NPSR1 (0.45) NPSR1KDM4CALDH1A1KDM4ESMN1; SMN2
SCHEMBL9091123 0.79 NPSR1 (0.71) NPSR1KDM4CALDH1A1KDM4ESMN1; SMN2
SCHEMBL20140437 0.78 NPSR1 (0.47) NPSR1ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4328723 0.78 TDP1 (0.59) ALDH1A1KDM4ESMN1; SMN2TDP1MAPT
SCHEMBL29512558 0.77 TDP1 (0.63) NPSR1ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL6111796 0.77 NPSR1 (0.50) NPSR1KDM4CALDH1A1KDM4ESMN1; SMN2
SCHEMBL1614180 0.77 TDP1 (0.63) NPSR1ALDH1A1KDM4ESMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063049-B2 Inhibitors of MEK ARDEA BIOSCIENCES, INC. (US) 2011-11-22 US disclosed
US-8063049-B2 Inhibitors of MEK ARDEA BIOSCIENCES, INC. (US) 2011-11-22 US disclosed
US-20100331334-A1 INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. 2010-12-30 US disclosed
US-20100331334-A1 INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. 2010-12-30 US disclosed
US-7820664-B2 Inhibitors of MEK BAYER SCHERING PHARMA AG (DE) 2010-10-26 US disclosed
US-7820664-B2 Inhibitors of MEK BAYER SCHERING PHARMA AG (DE) 2010-10-26 US disclosed
US-7576072-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-08-18 US disclosed
US-20080255133-A1 N-(2-aylamino)aryl sulfonamides such as N-(7-(4-bromo-2-fluorophenylamino)imidazo[1,2-b]pyridazin-6-yl)-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide; mitogen-activated ERK activating kinase (MEK) inhibitors; antiproliferative, anticarcinogenic, and antiinflammatory agents ARDEA BIOSCIENCES, INC. (US) 2008-10-16 US disclosed
US-20080255133-A1 N-(2-aylamino)aryl sulfonamides such as N-(7-(4-bromo-2-fluorophenylamino)imidazo[1,2-b]pyridazin-6-yl)-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide; mitogen-activated ERK activating kinase (MEK) inhibitors; antiproliferative, anticarcinogenic, and antiinflammatory agents ARDEA BIOSCIENCES, INC. (US) 2008-10-16 US disclosed
EP-1689406-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-01-17 EP disclosed
EP-1689406-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-08-16 EP disclosed
US-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-07-14 US disclosed
WO-2005051906-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 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 (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-20080255133-A1 N-(2-aylamino)aryl sulfonamides such as N-(7-(4-bromo-2-fluorophenylamino)imidazo[1,2-b]pyridazin-6-yl)-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide; mitogen-activated ERK activating kinase (MEK) inhibitors; antiproliferative, anticarcinogenic, and antiinflammatory agents MAPK8, MAP3K8, MAP3K2 NPSR1 3857/4885KDM4C 1746/4885ALDH1A1 1721/4885
US-20100331334-A1 INHIBITORS OF MEK NRAS, BRAF, KSR2 NPSR1 4661/4885KDM4C 886/4885ALDH1A1 1735/4885
US-20050153942-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 NPSR1 3090/4885KDM4C 1127/4885ALDH1A1 2094/4885

“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.