SCHEMBL4061052

SCHEMBL4061052

Cc1cccc(C)c1C(=O)Nc1ccc(OC2CCCCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 10/20 0.49
S1PR1 P21453 2/20 0.47
CXCR1 P25024 1/20 0.45
CXCR2 P25025 1/20 0.45
DYRK1A Q13627 3/20 0.45
CLK2 P49760 2/20 0.45
CLK3 P49761 2/20 0.45
MAPK7 Q13164 1/20 0.44
FLT3 P36888 1/20 0.43
POLB P06746 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
GSK3B P49841 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
SCHEMBL4063306 0.87 L3MBTL1 (0.51) NAMPTS1PR1
SCHEMBL4062636 0.86 NAMPT (0.52) NAMPTS1PR1CXCR1CXCR2MAPK7
SCHEMBL15921626 0.81 BUB1 (0.43) NAMPTS1PR1CXCR1CXCR2DYRK1A
SCHEMBL4064073 0.79 S1PR1 (0.50) S1PR1
SCHEMBL5072186 0.79 NAMPT (0.53) NAMPTS1PR1FLT3
SCHEMBL4060466 0.78 SMN1; SMN2 (0.56) NAMPTS1PR1
SCHEMBL4061677 0.77 HTR2C (0.53) POLBPIK3CAMTOR
SCHEMBL17357221 0.76 BUB1 (0.51) NAMPTS1PR1DYRK1ACLK2CLK3
SCHEMBL4072949 0.76 S1PR1 (0.49) S1PR1MAPK7PIK3CAMTOR
SCHEMBL13946964 0.76 NAMPT (0.50) NAMPTS1PR1CXCR1CXCR2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP claimed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP claimed
US-20020035094-A1 Substituted pyridine compounds and methods of use AMGEN INC. 2002-03-21 US claimed
US-6022884-A PROPHYLAXIS OR TREATMENT OF INFLAMMATION AMGEN INC. (US) 2000-02-08 US claimed
EP-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed
US-6458813-B1 2-CYCLOHEXYLOXY-5-(2-CHLOROPHENYLCARBONYLAMINO)PYRIDINE, FOR EXAMPLE; TREATING INFLAMMATION, PAIN, DIABETES, CANCER AMGEN INC. 2002-10-01 US disclosed
US-20020035094-A1 Substituted pyridine compounds and methods of use AMGEN INC. 2002-03-21 US disclosed
US-6333341-B1 TUMOR NECROSIS FACTOR, ANTIINFLAMMATORY AGENTS AND ANALGESICS AMGEN INC. 2001-12-25 US disclosed
US-6184237-B1 Substituted pyridine compounds and methods of use AMGEN INC. 2001-02-06 US disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
US-6022884-A PROPHYLAXIS OR TREATMENT OF INFLAMMATION AMGEN INC. (US) 2000-02-08 US disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 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 (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-20020035094-A1 Substituted pyridine compounds and methods of use IL1B, IL6, IL1A NAMPT 165/4885S1PR1 1142/4885CXCR1 50/4885

“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.