SCHEMBL2978233

SCHEMBL2978233

[c]1ccc(OCCNCc2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CHRM2 P08172 1/20 0.54
ALDH1A1 P00352 2/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
DRD4 P21917 2/20 0.53
MAPK1 P28482 2/20 0.51
NPSR1 Q6W5P4 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 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
SCHEMBL7097610 0.83 SCN8A (0.58) SCN8ACYP1A2CYP2D6CHRM2ALDH1A1
SCHEMBL2983745 0.82 DRD4 (0.54) ALDH1A1DRD4
SCHEMBL3165235 0.81 CYP2D6 (0.49) CYP1A2CYP2D6ALDH1A1TP53POLB
SCHEMBL10856250 0.80 KMT2A (0.64) SCN8ACYP1A2CYP2D6CHRM2ALDH1A1
SCHEMBL10857113 0.80 ALDH1A1 (0.53) SCN8ACYP1A2CYP2D6CHRM2ALDH1A1
SCHEMBL3154669 0.80 CYP2D6 (0.58) CYP1A2CYP2D6TDP1
SCHEMBL1044020 0.79 CYP1A2 (0.75) CYP1A2CYP2D6CHRM2ALDH1A1TP53
SCHEMBL864294 0.77 MAPK1 (0.52) ALDH1A1TP53POLBTDP1MAPK1
SCHEMBL19031318 0.77 CYP1A2 (0.83) SCN8ACYP1A2CYP2D6CHRM2ALDH1A1
SCHEMBL29875178 0.77 CYP1A2 (0.83) SCN8ACYP1A2CYP2D6CHRM2ALDH1A1

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 SCN8A 1103/4885CYP1A2 2161/4885CYP2D6 2992/4885

“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.