SCHEMBL392895

SCHEMBL392895

Cc1nnc(-c2c[c]ccc2)s1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
HSD17B1 P14061 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 1/20 0.33
GSK3B P49841 1/20 0.32
KDM4E B2RXH2 3/20 0.31
MAPT P10636 2/20 0.31
PKM P14618 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
GFER P55789 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TNF P01375 1/20 0.30

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
SCHEMBL2833054 0.79 KDM4E (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2387642 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL2421712 0.77 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APOLBHSD17B1
SCHEMBL4541985 0.74 HDAC4 (0.40) ALDH1A1POLBHSD17B1SMN1; SMN2LMNA
SCHEMBL14873462 0.72 HSD17B1 (0.55) ALDH1A1MEN1KMT2APOLBHSD17B1
SCHEMBL3141486 0.71 CYP3A4 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5924779 0.70 CNR1 (0.35) ALDH1A1HSD17B1SMN1; SMN2KDM4EMAPT
SCHEMBL12971 0.70 ALDH1A1 (0.69) ALDH1A1MEN1KMT2APOLBHSD17B1
SCHEMBL21052817 0.70 ALOX5 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3613448 0.70 AOC3 (0.35) HSD17B1

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
EP-0794774-B1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-10-12 EP claimed
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2017-06-29 US disclosed
US-20140378466-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES (US) 2014-12-25 US disclosed
US-8829052-B2 Derivatives of N-(arylamino)sulfonamides as inhibitors of MEK ARDEA BIOSCIENCES, INC. (US) 2014-09-09 US disclosed
US-8808742-B2 Compositions and methods for preparing and using same ARDEA BIOSCIENCES, INC. (US) 2014-08-19 US disclosed
US-20120022076-A1 DERIVATIVES OF N-(ARYLAMINO)SULFONAMIDES AS INHIBITORS OF MEK MADERNA ANDREAS (US) 2012-01-26 US disclosed
US-8101799-B2 Derivatives of N-(arylamino) sulfonamides as inhibitors of MEK ARDEA BIOSCIENCES (US) 2012-01-24 US disclosed
US-20110033539-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME ARDEA BIOSCIENCES, INC (US) 2011-02-10 US disclosed
US-7759518-B2 (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide; MEK kinase (mitogen-activated ERK-activating kinases, MAP kinase kinase); cancer, tumors, autoimmune disorders, ischemia, rheumatoid arthritis, multiple sclerosis, psoriasis, restenosis ARDEA BIOSCIENCES (US) 2010-07-20 US disclosed
US-20090082457-A1 (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide; MEK kinase (mitogen-activated ERK-activating kinases, MAP kinase kinase); cancer, tumors, autoimmune disorders, ischemia, rheumatoid arthritis, multiple sclerosis, psoriasis, restenosis ANDREA BIOSCIENCES, INC. (US) 2009-03-26 US disclosed
US-20080058340-A1 MEK kinase (mitogen-activated ERK-activating kinases or MAP kinase kinase); cancer, tumors, infections, autoimmune disorders, stroke, ischemia, rheumatoid arthritis, multiple sclerosis, psoriasis, restenosis; 1-sulfonamido-2-(phenylamino)-4-fluorobenzene compounds ARDEA BIOSCIENCES, INC. (US) 2008-03-06 US disclosed
EP-0794774-B1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-OLS MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-10-12 EP 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 (6 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-20080058340-A1 MEK kinase (mitogen-activated ERK-activating kinases or MAP kinase kinase); cancer, tumors, infections, autoimmune disorders, stroke, ischemia, rheumatoid arthritis, multiple sclerosis, psoriasis, restenosis; 1-sulfonamido-2-(phenylamino)-4-fluorobenzene compounds BRAF, MAPK1, MAPK12 ALDH1A1 2843/4885MEN1 1092/4885KMT2A 1629/4885
US-20120022076-A1 DERIVATIVES OF N-(ARYLAMINO)SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 ALDH1A1 1961/4885MEN1 1666/4885KMT2A 502/4885
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 ALDH1A1 1961/4885MEN1 1666/4885KMT2A 502/4885
US-20140378466-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 ALDH1A1 1961/4885MEN1 1666/4885KMT2A 502/4885
US-20090082457-A1 (S)-N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide; MEK kinase (mitogen-activated ERK-activating kinases, MAP kinase kinase); cancer, tumors, autoimmune disorders, ischemia, rheumatoid arthritis, multiple sclerosis, psoriasis, restenosis BRAF, MAPK1, MAP2K2 ALDH1A1 2206/4885MEN1 2467/4885KMT2A 1554/4885
US-20110033539-A1 COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME HMGCR, PCSK9, C5 ALDH1A1 2451/4885MEN1 195/4885KMT2A 2760/4885

“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.