SCHEMBL3429050

SCHEMBL3429050

O=C(O)c1cc(Br)c(F)c(F)c1Nc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.47
FTO Q9C0B1 11/20 0.47
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
CLCN2 P51788 2/20 0.43
GRIK1 P39086 2/20 0.43
PBRM1 Q86U86 1/20 0.43
TTR P02766 3/20 0.42
MEN1 O00255 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
PTGS2 P35354 2/20 0.42
AKR1C3 P42330 2/20 0.42
KMT2A Q03164 2/20 0.42
AKR1B10 O60218 1/20 0.42
ABCB11 O95342 1/20 0.42
CHRM1 P11229 1/20 0.42
FABP2 P12104 1/20 0.42
RXRA P19793 1/20 0.42
TBXA2R P21731 1/20 0.42
NR4A1 P22736 1/20 0.42

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
SCHEMBL1341919 0.86 KDM4E (0.52) MAP2K1FTOFABP4GRIK1MEN1
SCHEMBL3427476 0.86 PTGS2 (0.46) MAP2K1CLCN2MEN1PTGS2KMT2A
SCHEMBL13841944 0.84 MEN1 (0.60) MAP2K1FTOFABP4TTRMEN1
SCHEMBL4856761 0.83 MAP2K1 (0.70) MAP2K1
SCHEMBL6944105 0.83 MAP2K1 (0.47) MAP2K1FTOFABP3FABP4CLCN2
SCHEMBL6950981 0.80 MAP2K1 (0.47) MAP2K1FTOCLCN2MEN1KMT2A
SCHEMBL3867085 0.80 FTO (0.47) MAP2K1FTOFABP3FABP4CLCN2
SCHEMBL6951081 0.79 LMNA (0.48) MAP2K1LMNAMAPT
SCHEMBL15129554 0.79 CLCN2 (0.47) MAP2K1FTOFABP3FABP4CLCN2
SCHEMBL17982597 0.78 FTO (0.46) MAP2K1FTOFABP3FABP4CLCN2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9937158-B2 Benzoheterocyclic compounds and use thereof SHANGHAI KECHOW PHARMA, INC. (CN) 2018-04-10 US disclosed
EP-2804855-B1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF SHANGHAI KECHOW PHARMA INC (CN) 2017-09-20 EP disclosed
EP-2804855-B1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF SHANGHAI KECHOW PHARMA INC (CN) 2017-09-20 EP disclosed
US-20160235721-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF TIANJIN BINJIANG PHARMA, INC. (CN) 2016-08-18 US disclosed
US-20160235721-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF TIANJIN BINJIANG PHARMA, INC. (CN) 2016-08-18 US disclosed
US-9290468-B2 Benzoheterocyclic compounds and use thereof SHANGHAI KECHOW PHARMA, INC. (CN) 2016-03-22 US disclosed
US-9290468-B2 Benzoheterocyclic compounds and use thereof SHANGHAI KECHOW PHARMA, INC. (CN) 2016-03-22 US disclosed
US-20140371278-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF TIANJIN BINJIANG PHARMA, INC. (CN) 2014-12-18 US disclosed
US-20140371278-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF TIANJIN BINJIANG PHARMA, INC. (CN) 2014-12-18 US disclosed
EP-2804855-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF Tianjin Binjiang Pharma, Inc. (CN) 2014-11-26 EP disclosed
US-20060189649-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
US-20060189808-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
EP-1689233-A2 BICYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-08-16 EP disclosed
EP-1673339-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-06-28 EP disclosed
US-20060030610-A1 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. 2006-02-09 US disclosed
US-20050130976-A1 Bicyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-06-16 US disclosed
WO-2005051302-A2 BICYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 WO disclosed
WO-2005023759-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-03-17 WO disclosed
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-03-10 US disclosed
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. 2005-03-03 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 (8 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-20060189649-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 94/4885FTO 4017/4885FABP3 4875/4885
US-20140371278-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF CDK2, CDK1, MAP3K1 MAP2K1 436/4885FTO 4551/4885FABP3 4749/4885
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 92/4885FTO 3568/4885FABP3 4867/4885
US-20060189808-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 92/4885FTO 3867/4885FABP3 4763/4885
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 92/4885FTO 3568/4885FABP3 4867/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 MAP2K1 4674/4885FTO 3381/4885FABP3 587/4885
US-20160235721-A1 BENZOHETEROCYCLIC COMPOUNDS AND USE THEREOF CDK2, MAPK1, BDKRB1 MAP2K1 393/4885FTO 4408/4885FABP3 4799/4885
US-20050130976-A1 Bicyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 33/4885FTO 4341/4885FABP3 4857/4885

“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.