SCHEMBL4619802

SCHEMBL4619802

Cc1cc(NC(=O)O)nc(CO)c1CN

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 13/20 0.35
LMNA P02545 1/20 0.33
DPP4 P27487 3/20 0.33
DPP9 Q86TI2 3/20 0.33
SGK1 O00141 1/20 0.33
ROCK2 O75116 1/20 0.33
ULK1 O75385 1/20 0.33
CDK2 P24941 1/20 0.33
GRK2 P25098 1/20 0.33
MAPK3 P27361 1/20 0.33
GRK3 P35626 1/20 0.33
TGFBR2 P37173 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK7 P50613 1/20 0.33
CDK5 Q00535 1/20 0.33
PRKG2 Q13237 1/20 0.33
ROCK1 Q13464 1/20 0.33
MARK2 Q7KZI7 1/20 0.33

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
SCHEMBL553157 0.83 DPP4 (0.36) MAPK1LMNADPP4DPP8
SCHEMBL2595112 0.81 MAPK8 (0.40) MAPK1
SCHEMBL17598745 0.75 GSK3B (0.39) DPP4DPP9GSK3B
SCHEMBL4617296 0.74 LMNA (0.39) LMNADPP4
SCHEMBL26662843 0.72 AGBL2 (0.33) MAPK1ABL1
SCHEMBL4963295 0.70 CYP2D6 (0.35) MAPK1SGK1ROCK2ULK1CDK2
SCHEMBL17846217 0.70 MAPK1 (0.65) MAPK1
SCHEMBL17598976 0.68 ADORA3 (0.38)
SCHEMBL23201139 0.67 GABRP (0.39) LMNADPP4DPP9DPP8
SCHEMBL553661 0.66 KLKB1 (0.44) GSK3B

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-20080207695-A1 Thrombin Inhibiting 2-Oxo-1,2,5,6-Tetrahydropyridine Derivatives ASTRAZENECA AB (SE) 2008-08-28 US disclosed
CN-101243069-A Thrombin inhibiting 2-oxo-1,2,5,6-tetrahydropyridine derivatives ASTRAZENECA AB (SE) 2008-08-13 CN disclosed
EP-1893601-A1 THROMBIN INHIBITING 2-OXO-1, 2, 5, 6-TETRAHYDROPYRIDINE DERIVATIVES AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006135323-A1 THROMBIN INHIBITING 2-OXO-1, 2, 5, 6-TETRAHYDROPYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-12-21 WO 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-20080207695-A1 Thrombin Inhibiting 2-Oxo-1,2,5,6-Tetrahydropyridine Derivatives F2R, F2, SERPINE1 MAPK1 1599/4885LMNA 2604/4885DPP4 327/4885

“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.