SCHEMBL5648545

SCHEMBL5648545

Cc1ccn(NCc2cnn(C)c2C)c(=O)c1C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HDAC1 Q13547 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HDAC3 O15379 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MC4R P32245 1/20 0.33
BRD4 O60885 4/20 0.33
BRD9 Q9H8M2 3/20 0.33
BRPF1 P55201 1/20 0.32
ROCK2 O75116 1/20 0.32
KAT2B Q92831 1/20 0.32
PTGS2 P35354 1/20 0.31
ITGA4 P13612 2/20 0.31
ITGB7 P26010 2/20 0.31
ITGB1 P05556 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL27649171 0.80 HDAC1 (0.35) MAPTTP53SMN1; SMN2HDAC1HDAC3
SCHEMBL5650058 0.80 L3MBTL1 (0.42) MAPTTP53SMN1; SMN2RXFP1KDM4E
SCHEMBL5649734 0.79 F2 (0.41) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5648163 0.78 OPRK1 (0.40) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5652709 0.78 ALDH1A1 (0.36) SMN1; SMN2KDM4ELMNAKMT2A
SCHEMBL5652857 0.77
SCHEMBL5647632 0.77 PTGS2 (0.34) MAPTKAT2BPTGS2LMNAHPGD
SCHEMBL5650827 0.77 VNN1 (0.37) HDAC1HDAC3LMNA
SCHEMBL5648431 0.77 FDPS (0.31)
SCHEMBL27649114 0.77 F2 (0.36) MAPTTP53SMN1; SMN2NPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 US disclosed
EP-1713774-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075424-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-08-18 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-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin PLG, F2, PLAT MAPT 4569/4885TP53 2362/4885SMN1; SMN2 3414/4885

“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.