SCHEMBL4617296

SCHEMBL4617296

Cc1cc(N)nc(CO)c1CN

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
NOS2 P35228 9/20 0.36
NOS3 P29474 8/20 0.36
NOS1 P29475 7/20 0.36
KLKB1 P03952 1/20 0.34
BACE1 P56817 1/20 0.34
DPP4 P27487 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL15306000 0.77 KDM4E (0.42) LMNANOS2NOS3NOS1BACE1
SCHEMBL30000766 0.76 NOS3 (0.41) NOS2NOS3NOS1KLKB1BACE1
SCHEMBL7337621 0.76 NOS3 (0.41) NOS2NOS3NOS1KLKB1BACE1
SCHEMBL14385061 0.76 NOS3 (0.39) NOS2NOS3NOS1BACE1DPP4
SCHEMBL4618573 0.76 KDM4E (0.36) KLKB1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7823971 0.75 NOS3 (0.41) NOS2NOS3NOS1KLKB1BACE1
Hydrochloric Acid SCHEMBL17442571 0.75 NOS3 (0.41) NOS2NOS3NOS1KLKB1BACE1
SCHEMBL17221283 0.74 NOS3 (0.36) NOS2NOS3NOS1BACE1DPP4
SCHEMBL4619802 0.74 MAPK1 (0.35) LMNADPP4
SCHEMBL4618728 0.70 NPC1 (0.45) LMNAKLKB1ALDH1A1

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 LMNA 2604/4885NOS2 453/4885NOS3 381/4885

“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.