SCHEMBL1623474

SCHEMBL1623474

N#Cc1ccc(Nc2cc(C3CC3)[nH]n2)nc1NCCOc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.57
CYP2D6 P10635 4/20 0.57
CYP1A2 P05177 4/20 0.57
IGF1R P08069 5/20 0.47
CYP3A4 P08684 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
RAB29 O14966 1/20 0.45
FYN P06241 1/20 0.45
YES1 P07947 1/20 0.45
LYN P07948 1/20 0.45
FGFR1 P11362 1/20 0.45
SRC P12931 1/20 0.45
KDR P35968 1/20 0.45
AURKB Q96GD4 1/20 0.45
AKT1 P31749 1/20 0.44
TGFBR1 P36897 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
STK4 Q13043 1/20 0.44

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
SCHEMBL1622461 0.86 AURKA (0.76) AURKACYP2D6CYP1A2IGF1RCYP3A4
SCHEMBL1623446 0.86 AURKA (0.79) AURKACYP2D6CYP1A2IGF1RCYP3A4
SCHEMBL12720972 0.85 AURKA (0.50) AURKACYP2D6CYP1A2IGF1RCCNK
SCHEMBL1622343 0.83 AURKA (0.72) AURKACYP2D6CYP1A2IGF1RCYP3A4
SCHEMBL1623908 0.80 CYP3A4 (0.60) AURKACYP2D6CYP1A2IGF1RCYP3A4
SCHEMBL12754226 0.80 AURKA (0.58) AURKACYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL1622913 0.76 AURKA (0.78) AURKACYP2D6CYP1A2IGF1RCYP3A4
SCHEMBL1623552 0.76 AURKA (0.74) AURKACYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL12754224 0.75 AURKA (0.75) AURKACYP2D6CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL1624107 0.74 AURKA (0.74) AURKACYP2D6CYP1A2CYP3A4CYP2C9

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 7 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
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 154/4885CYP1A2 882/4885

“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.