SCHEMBL1697997

SCHEMBL1697997

CCOc1cnc2cc(C(=O)O)sc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
AADAT Q8N5Z0 1/20 0.37
GLA P06280 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2C Q14957 1/20 0.34
DAO P14920 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
SCHEMBL1697938 0.89 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1698060 0.79 KDM4E (0.37) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1697910 0.76 SIRT2 (0.41) MAPTALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL1697883 0.74 DAO (0.42) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL21405827 0.68 STING1 (0.45) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1697868 0.68 GPR35 (0.41) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL3725886 0.67 MAPT (0.45) MAPTALDH1A1KDM4ESMN1; SMN2HCAR2
SCHEMBL24369092 0.67 CDC7 (0.42) MAPTALDH1A1HCAR2HPGDTDP1
SCHEMBL24369465 0.67 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1698121 0.67 CSNK2A2 (0.43) KMT2AMAPTALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576566-B1 THIENO(2,3B)PYRAZINE COMPOUNDS AS B-RAF INHIBITORS MERCK SHARP & DOHME (NL) 2015-10-28 EP disclosed
EP-2576566-B1 THIENO(2,3B)PYRAZINE COMPOUNDS AS B-RAF INHIBITORS MERCK SHARP & DOHME (NL) 2015-10-28 EP disclosed
US-8669256-B2 Substituted thieno[2,3-b]pyrazine compounds as modulators of B-Raf kinase activity MERCK SHARP & DOHME B.V. (NL) 2014-03-11 US disclosed
US-8669256-B2 Substituted thieno[2,3-b]pyrazine compounds as modulators of B-Raf kinase activity MERCK SHARP & DOHME B.V. (NL) 2014-03-11 US disclosed
EP-2576566-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B - RAF INHIBITORS MSD Oss B.V. (NL) 2013-04-10 EP disclosed
US-20130079341-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B-RAF INHIBITORS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2013-03-28 US disclosed
US-20130079341-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B-RAF INHIBITORS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2013-03-28 US disclosed
US-20130079341-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B-RAF INHIBITORS ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2013-03-28 US disclosed
WO-2011147764-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B - RAF INHIBITORS N.V. ORGANON (NL) 2011-12-01 WO disclosed
WO-2011147764-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B - RAF INHIBITORS N.V. ORGANON (NL) 2011-12-01 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 (1 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-20130079341-A1 THIENO (2, 3B) PYRAZINE COMPOUNDS AS B-RAF INHIBITORS BRAF, RAF1, ARAF MEN1 1820/4885KMT2A 1423/4885MAPT 3752/4885

“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.