SCHEMBL4063941

SCHEMBL4063941

CN(c1ccc(NC(=O)c2c(Cl)cccc2Cl)cn1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.51
MAPK7 Q13164 1/20 0.51
TYK2 P29597 6/20 0.48
JAK2 O60674 5/20 0.48
JAK1 P23458 3/20 0.48
TRPV1 Q8NER1 1/20 0.46
CDK9 P50750 1/20 0.45
JAK3 P52333 1/20 0.45
LCK P06239 1/20 0.44
MAPK14 Q16539 1/20 0.44
HPGD P15428 1/20 0.43
S1PR3 Q99500 1/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 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
SCHEMBL4069506 0.88 SMN1; SMN2 (0.54) S1PR1MAPK7TRPV1HPGDRAB9A
SCHEMBL4072949 0.88 S1PR1 (0.49) S1PR1MAPK7TRPV1JAK3LCK
SCHEMBL4068903 0.80 NPC1 (0.51) S1PR1TYK2TRPV1HPGDRAB9A
SCHEMBL28816239 0.77 TYK2 (0.61) TYK2JAK2JAK1CDK9JAK3
SCHEMBL4060806 0.77 JAK2 (0.55) S1PR1TYK2JAK2JAK1CDK9
SCHEMBL4062636 0.75 NAMPT (0.52) S1PR1MAPK7TYK2JAK2JAK1
SCHEMBL4062642 0.73 TAS1R3 (0.62) TYK2JAK2JAK1CDK9JAK3
SCHEMBL1706947 0.72 SMN1; SMN2 (0.70) TYK2JAK2JAK1CDK9JAK3
SCHEMBL846037 0.72 TRPV1 (0.80) TRPV1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL17607243 0.70 MAPK7 (0.47) S1PR1MAPK7JAK2JAK1TRPV1

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 9 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 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 S1PR1 1142/4885MAPK7 477/4885TYK2 1151/4885

“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.