SCHEMBL1623072

SCHEMBL1623072

N#Cc1c(-c2cccs2)cc(Cl)nc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.57
ADORA1 P30542 6/20 0.57
PIM1 P11309 2/20 0.57
KDM4E B2RXH2 10/20 0.49
ALDH1A1 P00352 10/20 0.49
HPGD P15428 8/20 0.49
GAA P10253 4/20 0.49
GLA P06280 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HCRTR1 O43613 1/20 0.49
ADORA2B P29275 3/20 0.48
MAPT P10636 5/20 0.48
HSD17B10 Q99714 3/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
CASP1 P29466 1/20 0.47
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL30022879 0.85 ADORA2A (0.55) ADORA2AADORA1PIM1KDM4EALDH1A1
SCHEMBL1623647 0.74 L3MBTL1 (0.54) ADORA2AADORA1PIM1KDM4EALDH1A1
SCHEMBL1623804 0.74 KDM4E (0.46) ADORA2AADORA1PIM1KDM4EMAPT
SCHEMBL31120361 0.72 ADORA2A (0.79) ADORA2AADORA1PIM1KDM4EALDH1A1
SCHEMBL12679744 0.71 ADORA2A (0.54) ADORA2AADORA1PIM1KDM4EALDH1A1
SCHEMBL1399303 0.71 L3MBTL1 (0.50) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL30023092 0.71 ADORA2A (0.55) ADORA2AADORA1PIM1KDM4EALDH1A1
SCHEMBL12679799 0.70 KDM4E (0.55) ADORA2AADORA1PIM1KDM4EALDH1A1
SCHEMBL2647405 0.70 ALDH1A1 (0.41) ADORA2AADORA1PIM1KDM4EALDH1A1
SCHEMBL5026243 0.69 KDM4E (0.48) ADORA2AADORA1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1876178-B1 CYANOPYRIDINE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2015-05-27 EP disclosed
US-7928126-B2 Cyanopyridine derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-04-19 US disclosed
US-20090292121-A1 Cyanopyridine derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US disclosed
EP-1876178-A1 CYANOPYRIDINE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2008-01-09 EP 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-20090292121-A1 Cyanopyridine derivative and use thereof as medicine DPYD, IDH1, TP53 ADORA2A 1812/4885ADORA1 1845/4885PIM1 1790/4885

“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.