SCHEMBL2087527

SCHEMBL2087527

CNC(=O)Nc1cc(C#N)cc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MAP4K1 Q92918 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK8 P45983 7/20 0.39
MAPK9 P45984 5/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSD11B1 P28845 1/20 0.38
PRKD3 O94806 3/20 0.36
MAP4K4 O95819 3/20 0.36
MAP4K2 Q12851 3/20 0.36
MAPK10 P53779 2/20 0.36
PKN2 Q16513 2/20 0.36
MAP4K5 Q9Y4K4 2/20 0.36
PRKD2 Q9BZL6 1/20 0.36
STK17A Q9UEE5 1/20 0.36
CHUK O15111 1/20 0.36
CDK2 P24941 1/20 0.36
CLK2 P49760 1/20 0.36

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
SCHEMBL2869744 0.84 MAPK8 (0.46) MAPK8MAPK9PRKD3MAP4K4MAP4K2
SCHEMBL2088000 0.78 FBP1 (0.48) SMN1; SMN2MAP4K1RAB9AALDH1A1FGFR1
SCHEMBL2087196 0.76 PLAU (0.37) SMN1; SMN2MAP4K1ALDH1A1
SCHEMBL2087730 0.76 FBP1 (0.38) SMN1; SMN2MAP4K1ALDH1A1
SCHEMBL2088872 0.75 FBP1 (0.50) SMN1; SMN2MAP4K1NPC1RAB9AALDH1A1
SCHEMBL2089387 0.75 FBP1 (0.52) SMN1; SMN2NPC1RAB9AFGFR1
SCHEMBL2089680 0.74 KMT2A (0.40) SMN1; SMN2MAP4K1ALDH1A1
SCHEMBL1490730 0.73 GCK (0.54) SMN1; SMN2MAP4K1NPC1RAB9AGRM5
SCHEMBL28454806 0.73 GPR35 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1LMNA
SCHEMBL2089364 0.73 MAP4K1 (0.36) SMN1; SMN2MAP4K1ALDH1A1FGFR1

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
US-8163778-B2 Pyridines as FBPase inhibitors for treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-04-24 US disclosed
EP-2227452-A2 PYRIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2010-09-15 EP disclosed
WO-2009068468-A2 PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
US-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES HOFFMANN-LA ROCHE, INC. 2009-06-04 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-20090143439-A1 NEW PYRIDINES AS FBPASE INHIBITORS FOR TREATMENT OF DIABETES FBP1, PDXK, G6PC1 SMN1; SMN2 3588/4885MAP4K1 620/4885NPC1 2234/4885

“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.