SCHEMBL3537243

SCHEMBL3537243

C=CC(=O)N(C)c1cnc(Cl)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 5/20 0.40
MAPK3 P27361 3/20 0.38
FGFR1 P11362 3/20 0.38
NFKB1 P19838 2/20 0.35
ATF1 P18846 1/20 0.35
JAK1 P23458 2/20 0.33
BLK P51451 2/20 0.33
JAK3 P52333 2/20 0.33
JAK2 O60674 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
BTK Q06187 4/20 0.33
JUN P05412 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL23331068 0.74 NFKB1 (0.34) NFKB1ATF1JUNNFKB2RELA
SCHEMBL1918082 0.72 KDM4E (0.33) NFKB1ATF1
SCHEMBL23331029 0.71 NFKB1 (0.32) NFKB1ATF1JUNNFKB2RELA
SCHEMBL1189606 0.68 KDM4E (0.32) NFKB1JUNNFKB2RELA
SCHEMBL17261871 0.67 PIK3CA (0.35)
SCHEMBL23330547 0.66 HTT (0.33)
SCHEMBL25357274 0.66 PIN1 (0.44)
SCHEMBL28353905 0.65 ALDH1A1 (0.38)
SCHEMBL17261958 0.65 HTT (0.38) LMNA
SCHEMBL1724048 0.65 NFKB1 (0.44) NFKB1ATF1JUNNFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893566-B1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (GB) 2013-02-13 EP disclosed
US-7851638-B2 Cyclohexanesulfonyl derivatives as GLYT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME LIMITED (GB) 2010-12-14 US disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (UK) LIMITED (GB) 2010-02-04 US disclosed
US-7626056-B2 2,4-Dichloro-N-(4-cyclopropylmethanesulfonyl-1-cyclopropylmethylcyclohexyl-methyl) benzamide; glutamatergic neurotransmission dysfunction and diseases; dementia; antidepressants; learning enhancement; cognition activators; attention deficit disorders; autism; eating disorders; anxiolytic agents MERCK SHARP & DOHME LIMITED (GB) 2009-12-01 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-12-07 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-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia GLRA1, GNMT, MGAT1 FGFR4 4011/4885MAPK3 3352/4885FGFR1 2228/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 FGFR4 1875/4885MAPK3 2920/4885FGFR1 1428/4885
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA GLRA1, GNMT, MGAT1 FGFR4 4011/4885MAPK3 3352/4885FGFR1 2228/4885

“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.