SCHEMBL1697889

SCHEMBL1697889

CNc1c(C(=O)O)sc2nccnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.35
KDM4E B2RXH2 6/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
POLB P06746 1/20 0.33
LIMK1 P53667 2/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 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
SCHEMBL7535523 0.81 PTPN1 (0.41) KDM4EALDH1A1
SCHEMBL2895816 0.76 LIMK1 (0.50) KDM4ELMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL1698022 0.74 IKBKB (0.42) BCAT2KDM4ELMNAALDH1A1KMT2A
SCHEMBL19876095 0.74 KDM4E (0.36) BCAT2KDM4ELMNAALDH1A1HPGD
SCHEMBL25192399 0.69 HSD17B10 (0.48) KMT2ARAB9ANPC1MAPTMAPK1
SCHEMBL30500276 0.69 HSD17B10 (0.48) KMT2ARAB9ANPC1MAPTMAPK1
SCHEMBL1697886 0.67 HDAC3 (0.32) BCAT2KDM4ELMNAALDH1A1KMT2A
SCHEMBL22645007 0.66 KDM4E (0.47) KDM4ELMNAALDH1A1KMT2AHPGD
SCHEMBL4116375 0.66 KDM4E (0.50) KDM4EALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL24248137 0.65 KDM4E (0.40) KDM4ELMNAALDH1A1HPGDSMN1; 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 BCAT2 2045/4885KDM4E 2580/4885LMNA 4642/4885

“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.