SCHEMBL2981970

SCHEMBL2981970

N#Cc1cccnc1-c1ccc(OCCN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.64
HRH1 P35367 8/20 0.64
HRH2 P25021 5/20 0.54
DRD2 P14416 2/20 0.52
HTR2A P28223 2/20 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
SCHEMBL2981461 0.86 LTA4H (0.56) HRH3HRH1HRH2
SCHEMBL2975828 0.85 SLC6A2 (0.58) HRH3HRH1DRD2HTR2A
SCHEMBL2975452 0.85 HRH3 (0.55) HRH3HRH1HRH2
SCHEMBL2981971 0.82 HRH3 (0.65) HRH3HRH1HRH2
SCHEMBL2984514 0.80 HRH3 (0.65) HRH3HRH1HRH2HTR2A
SCHEMBL2984892 0.79 HRH3 (0.64) HRH3HRH1HRH2
SCHEMBL2990304 0.78 HRH3 (0.55) HRH3HRH1HRH2
SCHEMBL2989449 0.78 HRH3 (0.47) HRH3HRH1HRH2
SCHEMBL8567186 0.73 HRH3 (0.52) HRH3HRH1HRH2DRD2HTR2A
SCHEMBL2975830 0.73 SLC6A2 (0.55) HRH3HRH1DRD2HTR2A

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.