SCHEMBL3317619

SCHEMBL3317619

CSc1nc(SC)n2cc(NC(=O)OC(C)(C)C)nc2n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
KMT2A Q03164 2/20 0.33
SCN9A Q15858 1/20 0.33
MEN1 O00255 1/20 0.32
PTGER1 P34995 1/20 0.30
HTT P42858 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
CYP17A1 P05093 1/20 0.30
ATR Q13535 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
SCHEMBL3321182 0.82 MEN1 (0.38) KMT2AMEN1HTTADORA3ADORA2A
SCHEMBL3311706 0.72 CCNA2 (0.42) KMT2AHTT
SCHEMBL13633450 0.71 MEN1 (0.48) GSK3BDYRK1AKMT2ASCN9AMEN1
SCHEMBL4439966 0.69 ATR (0.44) GSK3BDYRK1AKMT2ASCN9AMEN1
SCHEMBL104530 0.68 GSK3B (0.39) GSK3BDYRK1AKMT2ASCN9AHDAC3
SCHEMBL31600852 0.67 GSK3B (0.41) GSK3BDYRK1ASCN9APTGER1
SCHEMBL31210494 0.67 GSK3B (0.38) GSK3BDYRK1ASCN9ACYP17A1
SCHEMBL14926232 0.66 GSK3B (0.44) GSK3BDYRK1AKMT2ASCN9AMEN1
SCHEMBL19762846 0.65 JAK1 (0.40) GSK3BDYRK1AKMT2AMEN1HTT
SCHEMBL3316431 0.65 SMN1; SMN2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125819-B1 Fused heterocyclic compounds useful for the treatment of proliferative, allergic, autoimmune or inflammatory diseases BRISTOL MYERS SQUIBB CO (US) 2014-10-22 EP disclosed
US-8188272-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-29 US disclosed
EP-2125819-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE, ALLERGIC, AUTOIMMUNE OR INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2009-12-02 EP disclosed
WO-2008116064-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE, ALLERGIC, AUTOIMMUNE OR INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-25 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-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BTK, LYN, ABL1 GSK3B 543/4885DYRK1A 98/4885KMT2A 736/4885

“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.