SCHEMBL1623263

SCHEMBL1623263

Cc1cc(Nc2cc(-c3ccncc3)c(C#N)c(Cl)n2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.50
CYP2D6 P10635 5/20 0.50
CYP3A4 P08684 6/20 0.43
CYP1A2 P05177 4/20 0.43
SRC P12931 2/20 0.43
GSK3B P49841 1/20 0.43
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
ITK Q08881 1/20 0.40
AURKB Q96GD4 2/20 0.40
RAB29 O14966 1/20 0.40
FYN P06241 1/20 0.40
YES1 P07947 1/20 0.40
LYN P07948 1/20 0.40
FGFR1 P11362 1/20 0.40
KDR P35968 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
SCHEMBL1621755 0.90 AURKA (0.55) AURKACYP2D6CYP3A4CYP1A2SRC
SCHEMBL1622231 0.87 AURKA (0.51) AURKACYP2D6CYP3A4CYP1A2SRC
SCHEMBL1621842 0.86 AURKA (0.45) AURKACYP2D6CYP3A4CYP1A2SRC
SCHEMBL1623266 0.85 AURKA (0.45) AURKACYP2D6CYP3A4CYP1A2SRC
SCHEMBL12754344 0.83 AURKA (0.46) AURKACYP2D6CYP3A4CYP1A2SRC
SCHEMBL1623163 0.83 AURKA (0.46) AURKACYP2D6CYP3A4CYP1A2SRC
SCHEMBL1623804 0.81 KDM4E (0.46) AURKACYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL1623906 0.81 AURKA (0.46) AURKACYP2D6CYP3A4CYP1A2SRC
SCHEMBL1623449 0.81 AURKA (0.44) AURKACYP2D6CYP3A4CYP1A2SRC
SCHEMBL1621928 0.81 AURKA (0.43) AURKACYP2D6CYP3A4CYP1A2SRC

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 10 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
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.