SCHEMBL1623908

SCHEMBL1623908

Cc1ccc(OCCNc2nc(Nc3cc(C4CC4)[nH]n3)ccc2C#N)c(C)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.60
AURKA O14965 6/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2C19 P33261 3/20 0.60
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 4/20 0.45
IKBKE Q14164 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
RAB29 O14966 1/20 0.44
FYN P06241 1/20 0.44
YES1 P07947 1/20 0.44
LYN P07948 1/20 0.44
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
KDR P35968 1/20 0.44
AURKB Q96GD4 1/20 0.44
IGF1R P08069 3/20 0.42
AKT1 P31749 1/20 0.41
TGFBR1 P36897 1/20 0.41
GSK3A P49840 1/20 0.41

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
SCHEMBL12753493 0.88 AURKA (0.75) CYP3A4AURKACYP2C9CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL1623137 0.88 AURKA (0.74) CYP3A4AURKACYP2C9CYP2C19CYP1A2
SCHEMBL1623329 0.87 AURKA (0.79) CYP3A4AURKACYP2C9CYP2C19CYP1A2
SCHEMBL12721014 0.85 AURKA (0.52) CYP3A4AURKACYP2C9CYP2C19CYP1A2
SCHEMBL12721013 0.80 CYP3A4 (0.57) CYP3A4AURKACYP2C9CYP2C19CYP1A2
SCHEMBL1623474 0.80 AURKA (0.57) CYP3A4AURKACYP2C9CYP2C19CYP1A2
SCHEMBL1623897 0.80 AURKA (0.79) CYP3A4AURKACYP2C9CYP2C19CYP1A2
SCHEMBL1624053 0.77 AURKA (0.76) CYP3A4AURKACYP2C9CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL1623166 0.76 AURKA (0.75) CYP3A4AURKACYP2C9CYP2C19CYP1A2
SCHEMBL1623990 0.76 AURKA (0.75) CYP3A4AURKACYP2C9CYP2C19CYP1A2

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 CYP3A4 177/4885AURKA 172/4885CYP2C9 245/4885

“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.