SCHEMBL2989441

SCHEMBL2989441

N#Cc1cncc(-c2ccsc2)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.71
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
CHEK2 O96017 1/20 0.48
CYP2B6 P20813 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDR P35968 1/20 0.43
MAP4K4 O95819 1/20 0.43
TDP2 O95551 1/20 0.42
PDGFRB P09619 4/20 0.41
PDGFRA P16234 4/20 0.41
PIK3CG P48736 1/20 0.40
CYP2E1 P05181 1/20 0.39

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
SCHEMBL13035333 0.83 CYP2A6 (1.00) CYP2A6CHEK2CYP2B6CYP3A4CYP2C9
SCHEMBL13035338 0.81 CYP2A6 (1.00) CYP2A6CYP11B1CYP11B2CHEK2CYP2B6
SCHEMBL2983844 0.81 CYP11B2 (0.61) CYP11B1CYP11B2MAP4K4PIK3CG
SCHEMBL4201985 0.80 CYP2A6 (0.50) CYP2A6CHEK2CYP2B6CYP3A4CYP2C9
SCHEMBL4199347 0.79 TDP2 (0.58) CYP2A6CHEK2CYP2B6CYP3A4CYP2C9
SCHEMBL30726373 0.78 CYP11B2 (0.56) CYP2A6CYP11B1CYP11B2MAP4K4
SCHEMBL1651440 0.78 CYP11B2 (0.56) CYP2A6CYP11B1CYP11B2MAP4K4
SCHEMBL28312712 0.77 CYP2A6 (0.44) CYP2A6CYP2B6CYP2E1
SCHEMBL17116680 0.77 CYP11B2 (0.58) CYP11B1CYP11B2MAP4K4PIK3CG
SCHEMBL17116617 0.76 CYP11B2 (0.62) CYP11B1CYP11B2MAP4K4PIK3CG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115710219-B Method for preparing meta-cyano-substituted pyridine compound 南开大学 2024-12-03 CN disclosed
CN-115710219-A Method for preparing meta cyano-substituted pyridine compound 南开大学 2023-02-24 CN disclosed
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 CYP2A6 2820/4885CYP11B1 1865/4885CYP11B2 2155/4885

“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.