SCHEMBL3406401

SCHEMBL3406401

c1ccc(-c2ncno2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
LMNA P02545 4/20 0.52
CYP1A2 P05177 2/20 0.52
CCR1 P32246 2/20 0.52
CCR5 P51681 2/20 0.52
CCR8 P51685 2/20 0.52
POLB P06746 2/20 0.52
METAP1 P53582 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
DOHH Q9BU89 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
RAB9A P51151 11/20 0.47
NPC1 O15118 10/20 0.47
TP53 P04637 8/20 0.47
SMN1; SMN2 Q16637 8/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 4/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL31301200 1.00 KDM4E (0.52) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL1179002 0.75 MAPK14 (0.37) HSP90AA1MAPT
SCHEMBL30501893 0.73
SCHEMBL2412341 0.71 RAB9A (0.46) KDM4ELMNAPOLBRAB9ANPC1
SCHEMBL10553462 0.71 KDM4E (0.59) KDM4ELMNACYP1A2CCR1CCR5
Dipyridyl SCHEMBL29907716 0.71 KDM4E (1.00) KDM4ELMNACYP1A2CCR1CCR5
Dipyridyl SCHEMBL29351528 0.71 KDM4E (1.00) KDM4ELMNACYP1A2CCR1CCR5
Dipyridyl SCHEMBL3711450 0.71 KDM4E (1.00) KDM4ELMNACYP1A2CCR1CCR5
Dipyridyl SCHEMBL5922 0.71 KDM4E (1.00) KDM4ELMNACYP1A2CCR1CCR5
Dipyridyl SCHEMBL2383343 0.69 KDM4E (0.93) KDM4ELMNACYP1A2CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575200-B2 Pyridin-2-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD (CH) 2013-11-05 US disclosed
EP-2252609-B1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-17 EP disclosed
US-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-12-30 US disclosed
EP-2252609-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2010-11-24 EP disclosed
WO-2009109872-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
EP-1758565-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND CONDITIONS RELATED THERETO AND FOR THE TREATMENT OF CONDITIONS AMELIORATED BY INCREASING A BLOOD GLP-1 LEVEL Arena Pharmaceuticals, Inc. (US) 2007-03-07 EP disclosed
WO-2006076231-A2 COMBINATION THERAPY FOR THE TREATMENT OF DIABETES AND CONDITIONS RELATED THERETO AND FOR THE TREATMENT OF CONDITIONS AMELIORATED BY INCREASING A BLOOD GLP-1 LEVEL ARENA PHARMACEUTICALS, INC. (US) 2006-07-20 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-20100331372-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS IL2, FCGRT, CD4 KDM4E 965/4885LMNA 4504/4885CYP1A2 420/4885

“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.