SCHEMBL3057993

SCHEMBL3057993

NC(=O)C(c1ccc(-c2ccccc2)cc1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.50
MKNK2 Q9HBH9 5/20 0.50
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
NAMPT P43490 1/20 0.48
RAB9A P51151 1/20 0.48
CYP17A1 P05093 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CFTR P13569 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GOPC Q9HD26 1/20 0.46
KCNA5 P22460 1/20 0.44

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
SCHEMBL2198036 0.92 ALDH1A1 (0.55) ALDH1A1HTTLMNASMN1; SMN2CFTR
SCHEMBL29937752 0.92 ALDH1A1 (0.55) ALDH1A1HTTLMNASMN1; SMN2CFTR
SCHEMBL362393 0.87 F7 (0.52) MKNK1MKNK2ALDH1A1HTTLMNA
SCHEMBL4534187 0.79 SMN1; SMN2 (0.58) ALDH1A1HTTGAANAMPTSMN1; SMN2
SCHEMBL2205442 0.77 SLC6A2 (0.54) ALDH1A1HTTLMNASLC6A2SLC6A4
SCHEMBL2840256 0.77 HDAC4 (0.60) MKNK1MKNK2NPC1LMNAGAA
SCHEMBL25279495 0.76 PSEN1 (0.59) MKNK1MKNK2
SCHEMBL741751 0.76 MEN1 (0.58) LMNASMN1; SMN2
SCHEMBL2815738 0.76 ALDH1A1 (0.49) ALDH1A1HTTLMNASMN1; SMN2CFTR
SCHEMBL14284024 0.76 SMN1; SMN2 (0.55) ALDH1A1HTTSMN1; SMN2CFTRSLC6A2

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 MKNK1 209/4885MKNK2 199/4885ALDH1A1 2828/4885

“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.