SCHEMBL375565

SCHEMBL375565

Cc1cnc(Nc2cncc(Sc3ccc(NC(=O)C4CC4)cc3)n2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
AURKB Q96GD4 4/20 0.40
SRC P12931 2/20 0.40
GSK3B P49841 1/20 0.40
ABL1 P00519 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OGA O60502 2/20 0.38
AURKA O14965 3/20 0.38
AURKC Q9UQB9 3/20 0.38
PLK4 O00444 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL3644098 0.81 AURKA (0.41) SMN1; SMN2RAB9AMAPTAURKBSRC
SCHEMBL3644101 0.81 AURKA (0.41) SMN1; SMN2RAB9AMAPTAURKBSRC
SCHEMBL10063714 0.81 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2960111 0.80 AURKA (0.55) SMN1; SMN2RAB9AMEN1KMT2AMAPT
SCHEMBL10294671 0.79 SMN1; SMN2 (0.48) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL375438 0.78 AURKB (0.47) AURKBSRCGSK3BABL1AURKA
SCHEMBL10294808 0.78 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1MAPTAURKB
SCHEMBL10295038 0.77 CHKA (0.49) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL13004560 0.77 AURKA (0.60) AURKBSRCABL1AURKAAURKC
SCHEMBL10294761 0.77 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1AURKBSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917259-B1 PYRAZINE KINASE INHIBITORS VERTEX PHARMA (US) 2012-01-25 EP disclosed
EP-1917259-B1 PYRAZINE KINASE INHIBITORS VERTEX PHARMA (US) 2012-01-25 EP disclosed
US-7989456-B2 Pyrazine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US disclosed
US-7989456-B2 Pyrazine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US disclosed
US-7989456-B2 Pyrazine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US disclosed
US-20100222367-A1 PYRAZINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-02 US disclosed
US-20100222367-A1 PYRAZINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-02 US disclosed
US-20100222367-A1 PYRAZINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-02 US disclosed
US-7737151-B2 Pyrazine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-15 US disclosed
US-7737151-B2 Pyrazine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-15 US disclosed
US-7737151-B2 Pyrazine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-15 US disclosed
US-20070173516-A1 Pyrazine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-07-26 US disclosed
US-20070173516-A1 Pyrazine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-07-26 US disclosed
US-20070173516-A1 Pyrazine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-07-26 US disclosed
WO-2007022384-A2 PYRAZINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-22 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 (2 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-20100222367-A1 PYRAZINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 SMN1; SMN2 2735/4885RAB9A 2261/4885NPC1 2247/4885
US-20070173516-A1 Pyrazine kinase inhibitors MAP3K5, MAP3K20, MAP3K1 SMN1; SMN2 2735/4885RAB9A 2261/4885NPC1 2247/4885

“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.