SCHEMBL2975830

SCHEMBL2975830

N#Cc1cnccc1-c1ccc(OCCN2CCN(c3ccccn3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
DRD2 P14416 3/20 0.53
DRD3 P35462 3/20 0.53
DRD1 P21728 2/20 0.53
HRH1 P35367 2/20 0.53
HTR1A P08908 2/20 0.53
HTR2A P28223 2/20 0.53
ADRA2C P18825 1/20 0.53
DRD5 P21918 1/20 0.53
HTR7 P34969 1/20 0.53
HRH3 Q9Y5N1 8/20 0.49
RET P07949 5/20 0.47

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
SCHEMBL2981971 0.86 HRH3 (0.65) HRH1HRH3
SCHEMBL2981464 0.84 LTA4H (0.55) HRH1HTR2AHRH3
SCHEMBL2975455 0.83 FLT1 (0.57) HRH1HRH3
SCHEMBL2975828 0.83 SLC6A2 (0.58) SLC6A2SLC6A4DRD2DRD3DRD1
SCHEMBL2984893 0.78 HRH3 (0.62) HRH1HRH3
SCHEMBL2990306 0.77 PRKCQ (0.57) HRH1HRH3
SCHEMBL29785720 0.77 SLC6A2 (0.57) SLC6A2SLC6A4DRD2DRD3DRD1
SCHEMBL2984516 0.76 HRH3 (0.64) HRH1HTR2AHRH3RET
SCHEMBL29785717 0.76 SLC6A2 (0.66) SLC6A2SLC6A4DRD2DRD3DRD1
SCHEMBL28810713 0.76 SLC6A2 (0.66) SLC6A2SLC6A4DRD2DRD3DRD1

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 SLC6A2 4329/4885SLC6A4 4388/4885DRD2 4649/4885

“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.