SCHEMBL1623906

SCHEMBL1623906

COc1cccc(-c2cc(Nc3cc(C)[nH]n3)nc(Cl)c2C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.46
CYP2D6 P10635 5/20 0.46
CYP3A4 P08684 4/20 0.46
BTK Q06187 1/20 0.45
CYP1A2 P05177 3/20 0.44
AURKB Q96GD4 2/20 0.43
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
SQOR Q9Y6N5 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB29 O14966 1/20 0.41

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
SCHEMBL1621842 0.89 AURKA (0.45) AURKACYP2D6CYP3A4CYP1A2AURKB
SCHEMBL1621755 0.86 AURKA (0.55) AURKACYP2D6CYP3A4BTKCYP1A2
SCHEMBL12720667 0.82 AURKA (0.43) AURKAAURKBADORA2AADORA1NPC1
SCHEMBL1623312 0.82 AURKA (0.52) AURKACYP2D6CYP3A4CYP1A2AURKB
SCHEMBL1621928 0.82 AURKA (0.43) AURKACYP2D6CYP3A4CYP1A2AURKB
SCHEMBL1622231 0.82 AURKA (0.51) AURKACYP2D6CYP3A4CYP1A2AURKB
SCHEMBL1623263 0.81 AURKA (0.50) AURKACYP2D6CYP3A4CYP1A2AURKB
SCHEMBL1623163 0.80 AURKA (0.46) AURKACYP2D6CYP3A4CYP1A2AURKB
SCHEMBL1623181 0.77 AURKA (0.47) AURKACYP2D6CYP3A4CYP1A2AURKB
SCHEMBL1623804 0.76 KDM4E (0.46) AURKACYP2D6CYP3A4CYP1A2KDM4E

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
US-20090292121-A1 Cyanopyridine derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-26 US claimed
EP-1876178-A1 CYANOPYRIDINE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2008-01-09 EP claimed
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-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
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
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 AURKA 172/4885CYP2D6 154/4885CYP3A4 177/4885

“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.