SCHEMBL3204763

SCHEMBL3204763

O=C(NCc1ccncc1)c1cc[c]cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
GAA P10253 1/20 0.60
CA2 P00918 1/20 0.60
ROCK2 O75116 1/20 0.59
RPS6KA5 O75582 1/20 0.59
MAP4K4 O95819 1/20 0.59
PRKCG P05129 1/20 0.59
PRKACA P17612 1/20 0.59
RPS6KB1 P23443 1/20 0.59
MAPK1 P28482 1/20 0.59
AKT1 P31749 1/20 0.59
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
PRKX P51817 1/20 0.59
PRKCD Q05655 1/20 0.59
PRKG2 Q13237 1/20 0.59
ROCK1 Q13464 1/20 0.59
DYRK1A Q13627 1/20 0.59
PRKG1 Q13976 1/20 0.59

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
SCHEMBL1569157 0.88 L3MBTL1 (0.77) MMP13L3MBTL1GAACA2ROCK2
SCHEMBL1900238 0.83 HDAC6 (0.67) CA2ROCK2RPS6KA5MAP4K4PRKCG
SCHEMBL30828595 0.83 MMP13 (0.88) MMP13L3MBTL1GAACA2ROCK2
SCHEMBL1161697 0.83 MMP13 (0.82) MMP13L3MBTL1GAACA2ROCK2
SCHEMBL3204774 0.81 LMNA (0.67) MMP13GAACA2MAPK1LMNA
SCHEMBL4503327 0.81 MMP13 (0.69) MMP13L3MBTL1GAACA2ROCK2
SCHEMBL9422508 0.80 MMP13 (0.68) MMP13L3MBTL1GAACA2ROCK2
SCHEMBL95976 0.80 MMP13 (0.68) MMP13L3MBTL1GAACA2ROCK2
SCHEMBL171661 0.80 SMN1; SMN2 (0.83) MMP13L3MBTL1GAACA2ROCK2
SCHEMBL28309717 0.80 CA2 (0.68) MMP13L3MBTL1GAACA2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758380-B1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
US-9073881-B2 Benzoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2015-07-07 US disclosed
EP-2758380-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP disclosed
WO-2013041468-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 WO disclosed
US-20130079346-A1 BENZOIC ACID DERIVATIVES HOFFMANN-LA ROCHE INC. 2013-03-28 US disclosed
US-7667036-B2 MAPKAP-K2 (mitogen-activated protein kinase-activated protein kinase 2) inhibitors; inflammatory, autoimmune disease, destructive bone disorder, cancer and/or tumor growth; angiogenesis, diabetes and neurological disorders TEIJIN PHARMA LIMITED (JP) 2010-02-23 US disclosed
EP-1780212-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE Teijin Pharma Limited (JP) 2007-05-02 EP disclosed
US-20060135514-A1 Pyrazolo[1,5-a]pyrimidine derivatives TEIJIN PHARMA LIMITED 2006-06-22 US disclosed
US-6235758-B1 CENTRAL NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-22 US disclosed
EP-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP disclosed
US-5990133-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US 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-20130079346-A1 BENZOIC ACID DERIVATIVES EIF4EBP1, EIF4E, EIF4A2 MMP13 3394/4885L3MBTL1 931/4885GAA 1389/4885
US-20060135514-A1 Pyrazolo[1,5-a]pyrimidine derivatives MAPKAPK2, MAPKAPK5, MAP4K2 MMP13 2001/4885L3MBTL1 3510/4885GAA 4222/4885

“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.