SCHEMBL3314043

SCHEMBL3314043

CCOC(=O)c1ccc(Nc2nc(S(C)(=O)=O)nc3nccn23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 2/20 0.49
RECQL P46063 1/20 0.47
RAB9A P51151 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
THRB P10828 1/20 0.46
SLC2A1 P11166 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
LMNA P02545 1/20 0.44
PTK2 Q05397 1/20 0.44

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
SCHEMBL3019337 0.85 PTK2 (0.46) MAPK1MAPTNFKB1LMNAPTK2
SCHEMBL3311997 0.83 ALDH1A1 (0.49) HPGDALDH1A1MAPK1RAB9AMEN1
SCHEMBL3316008 0.79 JAK2 (0.47) HPGDALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL9004816 0.74 TP53 (0.52) HPGDALDH1A1MAPK1RECQLRAB9A
SCHEMBL5457569 0.70 HPGD (0.66) HPGDALDH1A1RECQLRAB9AMEN1
SCHEMBL28916259 0.70 ALDH1A1 (0.52) HPGDALDH1A1MAPK1RAB9AMEN1
SCHEMBL12124929 0.69 RAB9A (0.69) HPGDALDH1A1RECQLRAB9AMEN1
SCHEMBL12253193 0.69 MEN1 (0.83) HPGDALDH1A1RECQLRAB9AMEN1
SCHEMBL1782591 0.68 PTK2 (0.49) HPGDMAPK1MEN1KMT2AL3MBTL1
SCHEMBL3899986 0.67 NAMPT (0.64) HPGDALDH1A1RECQLRAB9AMEN1

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 HPGD 4308/4885ALDH1A1 4220/4885MAPK1 205/4885

“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.