SCHEMBL1623277

SCHEMBL1623277

Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccncc3)n2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 1.00
CYP2D6 P10635 7/20 1.00
CYP3A4 P08684 9/20 0.84
CYP1A2 P05177 6/20 0.80
CYP2C9 P11712 5/20 0.77
CYP2C19 P33261 4/20 0.77
FYN P06241 3/20 0.77
YES1 P07947 3/20 0.77
SRC P12931 3/20 0.77
AURKB Q96GD4 3/20 0.77
RAB29 O14966 1/20 0.77
LYN P07948 1/20 0.77
FGFR1 P11362 1/20 0.77
KDR P35968 1/20 0.77

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
SCHEMBL1624190 0.91 AURKA (1.00) AURKACYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL4594995 0.90 AURKA (0.84) AURKACYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL1621497 0.90 AURKA (0.82) AURKACYP2D6CYP3A4CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL1623887 0.90 AURKA (0.82) AURKACYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL1624093 0.89 AURKA (1.00) AURKACYP2D6CYP3A4CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL1623815 0.88 AURKA (0.98) AURKACYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL1623441 0.88 AURKA (0.86) AURKACYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL1623763 0.88 AURKA (0.80) AURKACYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL1623566 0.87 AURKA (1.00) AURKACYP2D6CYP3A4CYP1A2CYP2C9
SCHEMBL12753465 0.86 AURKA (0.78) AURKACYP2D6CYP3A4CYP1A2CYP2C9

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 172/4885CYP2D6 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.