SCHEMBL1622247

SCHEMBL1622247

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.47
DHODH Q02127 1/20 0.44
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP1A2 P05177 2/20 0.43
FYN P06241 2/20 0.43
YES1 P07947 2/20 0.43
SRC P12931 2/20 0.43
AURKB Q96GD4 2/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 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
SCHEMBL1623742 0.83 AURKA (0.61) AURKACYP3A4CYP2D6CYP1A2FYN
SCHEMBL1620858 0.79 AURKA (0.51) AURKACYP3A4CYP2D6CYP1A2FYN
SCHEMBL1620867 0.79 AURKA (0.48) AURKACYP3A4CYP2D6CYP1A2FYN
SCHEMBL12720662 0.78 DHODH (0.44) AURKADHODHFYNAURKB
SCHEMBL1623989 0.77 AURKA (0.47) AURKACYP3A4CYP2D6CYP1A2FYN
SCHEMBL1621755 0.76 AURKA (0.55) AURKACYP3A4CYP2D6CYP1A2FYN
SCHEMBL1623263 0.75 AURKA (0.50) AURKACYP3A4CYP2D6CYP1A2FYN
SCHEMBL1623449 0.74 AURKA (0.44) AURKACYP3A4CYP2D6CYP1A2FYN
SCHEMBL14301889 0.74 AURKA (0.43) AURKACYP3A4CYP2D6CYP1A2FYN
SCHEMBL1623704 0.73 AURKA (0.78) AURKACYP3A4CYP2D6CYP1A2FYN

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
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 AURKA 172/4885DHODH 59/4885CYP3A4 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.