SCHEMBL4058533

SCHEMBL4058533

Cc1ccccc1Nc1ccc(NC(=O)c2c(Cl)cccc2Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 10/20 0.50
JAK2 O60674 8/20 0.50
JAK1 P23458 6/20 0.50
S1PR1 P21453 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
LCK P06239 1/20 0.46
MAPK14 Q16539 1/20 0.46
CYP3A4 P08684 1/20 0.46
ABL1 P00519 1/20 0.45
SRC P12931 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL4061634 0.90 KMT2A (0.51) TYK2S1PR1MEN1KMT2ARAB9A
SCHEMBL4059298 0.87 TYK2 (0.50) TYK2JAK2JAK1RAB9AALDH1A1
SCHEMBL4064006 0.87 HPGD (0.47) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL4061179 0.83 NPC1 (0.56) TYK2S1PR1MEN1KMT2ARAB9A
SCHEMBL4064010 0.81 TYK2 (0.45) TYK2JAK2JAK1S1PR1MEN1
SCHEMBL12156067 0.81 MEN1 (0.53) TYK2JAK2JAK1MEN1KMT2A
SCHEMBL4065422 0.79 HPGD (0.50) TYK2S1PR1MEN1KMT2ARAB9A
SCHEMBL11207305 0.77 HTT (0.63) TYK2MEN1KMT2ARAB9ANPC1
SCHEMBL4063410 0.77 RAB9A (0.56) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL4061467 0.76 POLB (0.53) TYK2JAK2JAK1MEN1KMT2A

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 15 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
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP claimed
US-6022884-A PROPHYLAXIS OR TREATMENT OF INFLAMMATION AMGEN INC. (US) 2000-02-08 US claimed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO 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 TYK2 1151/4885JAK2 340/4885JAK1 244/4885

“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.