SCHEMBL2984516

SCHEMBL2984516

N#Cc1cnccc1-c1ccc(OCCCN2CCOCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.64
HRH1 P35367 5/20 0.64
HRH2 P25021 4/20 0.64
FLT4 P35916 2/20 0.52
KDR P35968 2/20 0.52
PRKAB2 O43741 1/20 0.52
LCK P06239 1/20 0.52
BMP4 P12644 1/20 0.52
SRC P12931 1/20 0.52
FLT1 P17948 1/20 0.52
EPHA2 P29317 1/20 0.52
FLT3 P36888 1/20 0.52
PRKAG1 P54619 1/20 0.52
PRKAA2 P54646 1/20 0.52
PRKAA1 Q13131 1/20 0.52
RPS6KA1 Q15418 1/20 0.52
MKNK1 Q9BUB5 1/20 0.52
PRKAG3 Q9UGI9 1/20 0.52
PRKAG2 Q9UGJ0 1/20 0.52
PRKAB1 Q9Y478 1/20 0.52

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
SCHEMBL2984893 0.89 HRH3 (0.62) HRH3HRH1HRH2KCNH2
SCHEMBL2989450 0.85 PRKCQ (0.49) HRH3HRH1HRH2FLT4KDR
SCHEMBL2981464 0.84 LTA4H (0.55) HRH3HRH1HRH2FLT4KDR
SCHEMBL2975455 0.83 FLT1 (0.57) HRH3HRH1HRH2FLT4KDR
SCHEMBL2981971 0.82 HRH3 (0.65) HRH3HRH1HRH2FLT4KDR
SCHEMBL2984514 0.79 HRH3 (0.65) HRH3HRH1HRH2KDRMAPK1
SCHEMBL17120730 0.79 LMNA (0.50) SRCALDH1A1CYP1A2CHEK1LMNA
SCHEMBL14714916 0.79 HRH3 (1.00) HRH3HRH1HRH2MAPK1ALDH1A1
SCHEMBL2990306 0.77 PRKCQ (0.57) HRH3HRH1HRH2KDRPRKAB2
SCHEMBL7291468 0.77 HRH3 (0.92) HRH3HRH1HRH2MAPK1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 US 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 HRH3 631/4885HRH1 698/4885HRH2 936/4885

“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.