SCHEMBL2989449

SCHEMBL2989449

N#Cc1cccnc1-c1ccc(OCCN2CCC(N3CCOCC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.47
HRH2 P25021 4/20 0.47
HRH1 P35367 4/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CDK1 P06493 1/20 0.45
KDR P35968 1/20 0.45
SLC2A2 P11168 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ACHE P22303 1/20 0.42
TBK1 Q9UHD2 2/20 0.42
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
ESR1 P03372 2/20 0.41
LTA4H P09960 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
SCHEMBL2990304 0.91 HRH3 (0.55) HRH3HRH2HRH1CYP3A4CYP2C9
SCHEMBL2984514 0.85 HRH3 (0.65) HRH3HRH2HRH1NPC1RAB9A
SCHEMBL2981461 0.82 LTA4H (0.56) HRH3HRH2HRH1TBK1LTA4H
SCHEMBL2989450 0.82 PRKCQ (0.49) HRH3HRH2HRH1NPC1RAB9A
SCHEMBL2975452 0.81 HRH3 (0.55) HRH3HRH2HRH1TBK1LTA4H
SCHEMBL2981970 0.78 HRH3 (0.64) HRH3HRH2HRH1
SCHEMBL2984892 0.76 HRH3 (0.64) HRH3HRH2HRH1
SCHEMBL2975828 0.76 SLC6A2 (0.58) HRH3HRH1
SCHEMBL11091313 0.73 MKNK1 (0.48) HRH3HRH2HRH1NPC1RAB9A
SCHEMBL2990306 0.73 PRKCQ (0.57) HRH3HRH2HRH1KDRTBK1

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 631/4885HRH2 936/4885HRH1 698/4885

“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.