SCHEMBL1623977

SCHEMBL1623977

Cc1cc(Nc2cc(C3CCNCC3)c(C#N)c(NCCOc3ccc(F)cc3)n2)n[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.61
CYP3A4 P08684 8/20 0.61
CYP2D6 P10635 7/20 0.61
CYP1A2 P05177 5/20 0.59
CYP2C9 P11712 4/20 0.59
CYP2C19 P33261 4/20 0.59
AURKB Q96GD4 2/20 0.59
RAB29 O14966 1/20 0.59
FYN P06241 1/20 0.59
YES1 P07947 1/20 0.59
LYN P07948 1/20 0.59
FGFR1 P11362 1/20 0.59
SRC P12931 1/20 0.59
KDR P35968 1/20 0.59
JAK2 O60674 4/20 0.42
CHEK1 O14757 2/20 0.40
JAK3 P52333 3/20 0.39
LIMK1 P53667 1/20 0.39
LIMK2 P53671 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL1624017 0.94 AURKA (0.63) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1624136 0.92 AURKA (0.73) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1623502 0.91 AURKA (0.61) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1623605 0.90 AURKA (0.75) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1626225 0.90 AURKA (0.65) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1621718 0.89 CYP3A4 (0.75) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1623663 0.87 AURKA (0.65) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1623140 0.87 AURKA (0.75) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL12721103 0.86 AURKA (0.46) AURKACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL1623511 0.86 AURKA (0.62) AURKACYP3A4CYP2D6CYP1A2CYP2C9

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 6 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-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

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 172/4885CYP3A4 177/4885CYP2D6 154/4885

“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.