SCHEMBL2931452

SCHEMBL2931452

Cc1cc2cn[nH]c2cc1NC(=O)c1cc2nc(Nc3ccccc3C(F)(F)F)[nH]c2cc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.39
BACE1 P56817 3/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
TRPV1 Q8NER1 4/20 0.38
TBK1 Q9UHD2 5/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NAMPT P43490 1/20 0.38
DHODH Q02127 1/20 0.37
PTPN11 Q06124 1/20 0.37

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
SCHEMBL2929864 0.90 TRPV1 (0.47) PTGESBACE1RAF1BRAFTRPV1
SCHEMBL13086197 0.89 IRAK4 (0.40) PTGESBACE1RAF1BRAFTRPV1
SCHEMBL13085977 0.80 TRPV1 (0.46) PTGESRAF1BRAFTRPV1
SCHEMBL2928243 0.80 KEAP1 (0.44) PTGESBACE1RAF1BRAFTRPV1
SCHEMBL16267459 0.79 TRPV1 (0.44) RAF1BRAFTRPV1
SCHEMBL2929645 0.79 TRPV1 (0.40) PTGESRAF1BRAFTRPV1
SCHEMBL2930290 0.78 PTPN11 (0.44) BACE1TRPV1NAMPTDHODHPTPN11
SCHEMBL13086187 0.78 TRPV1 (0.45) PTGESRAF1BRAFTRPV1
SCHEMBL5133964 0.78 TRPV1 (0.45) PTGESRAF1BRAFTRPV1
SCHEMBL13086185 0.77 TRPV1 (0.45) PTGESTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569908-B1 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2010-09-15 EP claimed
US-7700631-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-20 US claimed
US-7087625-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2006-08-08 US claimed
EP-1569908-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-09-07 EP claimed
US-20040152902-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-08-05 US claimed
WO-2004046113-A2 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-06-03 WO claimed
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
EP-1569908-B1 PYRIDINE N-OXIDE COMPOUNDS AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2010-09-15 EP disclosed
US-20100173942-A1 PHOSPHODIESTERASE 4 INHIBITORS SCHUMACHER RICHARD A 2010-07-08 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-7700631-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-04-20 US disclosed
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 WO disclosed
US-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis SCHUMACHER RICHARD A 2006-09-21 US disclosed
US-7087625-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2006-08-08 US disclosed
US-20040152902-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2004-08-05 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 (5 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-20100173942-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B PTGES 679/4885BACE1 1802/4885RAF1 3017/4885
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB PTGES 4564/4885BACE1 2284/4885RAF1 427/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB PTGES 4564/4885BACE1 2284/4885RAF1 427/4885
US-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis PDE4A, PDE4B, PDE3B PTGES 290/4885BACE1 3385/4885RAF1 2312/4885
US-20040152902-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE3B PTGES 577/4885BACE1 1707/4885RAF1 2758/4885

“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.