SCHEMBL4073648

SCHEMBL4073648

Fc1ccc(-c2cccc3ncccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
ACVR1 Q04771 3/20 0.51
ERN1 O75460 2/20 0.51
GRM4 Q14833 2/20 0.50
TOP1 P11387 2/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK14 Q16539 2/20 0.45
CYP11B2 P19099 2/20 0.45
CNR2 P34972 1/20 0.44
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
GRM2 Q14416 1/20 0.43
GLO1 Q04760 1/20 0.42

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
SCHEMBL18805529 0.87 GRM4 (0.62) ACVR1GRM4MAPTMAPK14RECQL
SCHEMBL31014179 0.87 GRM4 (0.62) ACVR1GRM4MAPTMAPK14RECQL
SCHEMBL5318173 0.87 GRM4 (0.62) ACVR1GRM4MAPTMAPK14RECQL
SCHEMBL12074247 0.84 CA12 (0.65) CA12CA1CA2CA9ACVR1
SCHEMBL4658401 0.83 CA12 (0.59) CA12CA1CA2CA9ACVR1
SCHEMBL16247654 0.83 MAP4K4 (0.57) CA12CA1CA2CA9ACVR1
SCHEMBL12386951 0.82 CA12 (0.59) CA12CA1CA2CA9ACVR1
SCHEMBL6296099 0.82 CA12 (0.59) CA12CA1CA2CA9ACVR1
SCHEMBL8011323 0.82 CA12 (0.59) CA12CA1CA2CA9ACVR1
SCHEMBL27737402 0.82 CA12 (0.63) CA12CA1CA2CA9ACVR1

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
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-20090239897-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-09-24 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
US-7550480-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-06-23 US disclosed
EP-1596860-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-27 EP disclosed
US-20060211727-A1 Novel compounds GLAXOSMITHKLINE LLC 2006-09-21 US disclosed
CN-1774247-A Novel compounds SMITHKLINE BEECHAM CORP (US) 2006-05-17 CN disclosed
EP-1596860-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-11-23 EP disclosed
WO-2004073628-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 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-20090239897-A1 NOVEL COMPOUNDS MAPKAPK2, CREBBP, MAPK1 CA12 4658/4885CA1 4489/4885CA2 3962/4885
US-20060211727-A1 Novel compounds MAPKAPK2, CREBBP, MAPK1 CA12 4658/4885CA1 4489/4885CA2 3962/4885

“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.