SCHEMBL1623804

SCHEMBL1623804

Cc1cc(Nc2cc(-c3cccs3)c(C#N)c(Cl)n2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
AURKA O14965 13/20 0.44
CYP2D6 P10635 6/20 0.44
CYP3A4 P08684 5/20 0.44
CYP1A2 P05177 3/20 0.44
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
PIM1 P11309 2/20 0.43
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL1623449 0.85 AURKA (0.44) AURKACYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL1624061 0.83 AURKA (0.45) AURKACYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL1621755 0.82 AURKA (0.55) KDM4EAURKACYP2D6CYP3A4CYP1A2
SCHEMBL1623263 0.81 AURKA (0.50) AURKACYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL12720679 0.81 AURKA (0.37) AURKA
SCHEMBL1623312 0.78 AURKA (0.52) KDM4EAURKACYP2D6CYP3A4CYP1A2
SCHEMBL1622231 0.78 AURKA (0.51) KDM4EAURKACYP2D6CYP3A4CYP1A2
SCHEMBL1623742 0.78 AURKA (0.61) AURKACYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL1621842 0.77 AURKA (0.45) KDM4EMAPTAURKACYP2D6CYP3A4
SCHEMBL30022879 0.76 ADORA2A (0.55) KDM4EMAPTCYP3A4CYP1A2ADORA2A

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 11 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 claimed
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
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 KDM4E 2309/4885MAPT 2715/4885AURKA 172/4885

“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.