SCHEMBL1082873

SCHEMBL1082873

CCCCCc1cc(CCCCC)c(-c2ccccn2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CBFB Q13951 3/20 0.37
GPR84 Q9NQS5 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TLR8 Q9NR97 1/20 0.37
PARP1 P09874 1/20 0.36
KMT2A Q03164 1/20 0.36
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36

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
SCHEMBL15671156 0.96 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL13524542 0.82 CCNB2 (0.43) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL5489687 0.78 CYP1A2 (0.41) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28216733 0.76 GPR84 (0.41) CTSVCTSLGPR84PARP1KMT2A
SCHEMBL7137809 0.74 CYP1A2 (0.43) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL12824823 0.74 CYP1A2 (0.34) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL15671175 0.73 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28448529 0.73 LIPG (0.49) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL21565085 0.73 LIPG (0.49) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2661126 0.72 CYP1A2 (0.41) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005024058-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES INVOLVING COGNITIVE IMPAIRMENT, SUCH AS ALZHEIMER’S DISEASE, AND METHODS FOR IDENTIFYING SUCH COMPOUNDS GALAPAGOS N.V. (BE) 2005-03-17 WO claimed
EP-2327709-B1 Modulation of glucagon receptor expression IONIS PHARMACEUTICALS INC (US) 2017-05-17 EP disclosed
US-8642753-B2 Modulation of glucagon receptor expression ISIS PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
US-20120295958-A1 MODULATION OF GLUCAGON RECEPTOR EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2012-11-22 US disclosed
EP-2327709-A2 Modulation of glucagon receptor expression ISIS Pharmaceuticals, Inc. (US) 2011-06-01 EP disclosed
US-7919476-B2 Modulation of glucagon receptor expression ISIS PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
EP-2272857-A1 Modulation of glucagon receptor expression ISIS Pharmaceuticals, Inc. (US) 2011-01-12 EP disclosed
US-20100234447-A1 MODULATION OF GLUCAGON RECEPTOR EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7750142-B2 Modulation of glucagon receptor expression ISIS PHARMACEUTICALS, INC. (US) 2010-07-06 US disclosed
US-7446106-B2 Pyridylfurans and pyrroles as Raf kinase inhibitors SMITHKLINE BEECHAM PLC (GB) 2008-11-04 US disclosed
US-20070238688-A1 MODULATION OF GLUCAGON RECEPTOR EXPRESSION ISIS PHARMACEUTICALS, INC. 2007-10-11 US disclosed
US-20070238687-A1 MODULATION OF GLUCAGON RECEPTOR EXPRESSION ISIS PHARMACEUTICALS, INC. 2007-10-11 US disclosed
US-20070238689-A1 MODULATION OF GLUCAGON RECEPTOR EXPRESSION ISIS PHARMACEUTICALS, INC. 2007-10-11 US disclosed
US-20070238690-A1 MODULATION OF GLUCAGON RECEPTOR EXPRESSION ISIS PHARMACEUTICALS, INC. 2007-10-11 US disclosed
WO-2005024058-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES INVOLVING COGNITIVE IMPAIRMENT, SUCH AS ALZHEIMER’S DISEASE, AND METHODS FOR IDENTIFYING SUCH COMPOUNDS GALAPAGOS N.V. (BE) 2005-03-17 WO disclosed
US-20050014713-A1 Modulation of glucagon receptor expression ISIS PHARMACEUTICALS, INC. 2005-01-20 US disclosed
US-20040266714-A1 Modulation of glucagon receptor expression ISIS PHARMACEUTICALS, INC. 2004-12-30 US disclosed
US-20040198730-A1 Pyridylfurans and pyrroles as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2004-10-07 US disclosed
EP-1432699-A1 PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-06-30 EP disclosed
WO-2003022832-A1 PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2003-03-20 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 (3 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-20040198730-A1 Pyridylfurans and pyrroles as raf kinase inhibitors BRAF, ARAF, RAF1 CYP1A2 2926/4885CYP2D6 3303/4885CYP19A1 3363/4885
US-20100234447-A1 MODULATION OF GLUCAGON RECEPTOR EXPRESSION GCGR, GIPR, GLP1R CYP1A2 4875/4885CYP2D6 4837/4885CYP19A1 3325/4885
US-20120295958-A1 MODULATION OF GLUCAGON RECEPTOR EXPRESSION GCGR, GIPR, GLP1R CYP1A2 4875/4885CYP2D6 4837/4885CYP19A1 3325/4885

“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.