SCHEMBL2989450

SCHEMBL2989450

N#Cc1cnccc1-c1ccc(OCCN2CCC(N3CCOCC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.49
PRKCD Q05655 2/20 0.49
PRKAA1 Q13131 4/20 0.49
KDR P35968 3/20 0.49
PRKAB2 O43741 3/20 0.49
PRKAG1 P54619 3/20 0.49
PRKAA2 P54646 3/20 0.49
PRKAG3 Q9UGI9 3/20 0.49
PRKAG2 Q9UGJ0 3/20 0.49
PRKAB1 Q9Y478 3/20 0.49
FLT1 P17948 2/20 0.49
FLT4 P35916 2/20 0.49
FLT3 P36888 2/20 0.49
LCK P06239 1/20 0.49
BMP4 P12644 1/20 0.49
SRC P12931 1/20 0.49
EPHA2 P29317 1/20 0.49
RPS6KA1 Q15418 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
TBK1 Q9UHD2 2/20 0.46

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
SCHEMBL2990306 0.91 PRKCQ (0.57) PRKCQPRKCDPRKAA1KDRPRKAB2
SCHEMBL2984516 0.85 HRH3 (0.64) PRKCQPRKCDPRKAA1KDRPRKAB2
SCHEMBL2981464 0.83 LTA4H (0.55) PRKCQPRKCDPRKAA1KDRPRKAB2
SCHEMBL2989449 0.82 HRH3 (0.47) PRKCQPRKCDKDRTBK1HRH3
SCHEMBL2975455 0.82 FLT1 (0.57) PRKCQPRKCDPRKAA1KDRPRKAB2
SCHEMBL2981971 0.80 HRH3 (0.65) PRKAA1KDRPRKAB2PRKAG1PRKAA2
SCHEMBL2984893 0.77 HRH3 (0.62) HRH3HRH1HRH2
SCHEMBL2973963 0.75 PRKCQ (0.88) PRKCQPRKCD
SCHEMBL2975830 0.75 SLC6A2 (0.55) HRH3HRH1RET
SCHEMBL2990304 0.73 HRH3 (0.55) PRKCQPRKCDHRH3HRH1HRH2

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 PRKCQ 165/4885PRKCD 323/4885PRKAA1 242/4885

“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.