SCHEMBL7120850

SCHEMBL7120850

NCCOc1ccc2ccnc(N)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.45
NCF1 P14598 7/20 0.44
PLAU P00749 2/20 0.44
F12 P00748 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
BACE1 P56817 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKACA P17612 1/20 0.44
PRKCD Q05655 1/20 0.44
DYRK1A Q13627 1/20 0.44
CDC42BPA Q5VT25 1/20 0.44
F10 P00742 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLAT P00750 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL14404768 0.82 TYMS (0.50) ROCK1NCF1PLAUF12NOS3
SCHEMBL6769265 0.80 PLAU (0.43) ROCK1NCF1PLAUF12NOS3
SCHEMBL1834564 0.78 PLAU (0.59) ROCK1NCF1PLAUF12NOS3
SCHEMBL6776349 0.78 ROCK1 (0.46) ROCK1NCF1PLAUF10ALDH1A1
SCHEMBL6769241 0.77 ROCK1 (0.45) ROCK1PLAUPLAT
SCHEMBL30676373 0.74 PLAU (0.44) ROCK1NCF1PLAUF12NOS3
SCHEMBL14381015 0.74 F12 (0.44) ROCK1NCF1PLAUF12NOS3
SCHEMBL6775981 0.73 KDM4E (0.40) ROCK1PLAUF12F10ALDH1A1
SCHEMBL6982099 0.73 F12 (0.44) ROCK1NCF1PLAUF12NOS3
SCHEMBL7118295 0.73 AKT1 (0.53) ROCK1NCF1PLAUF12NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114448-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2003-06-19 US disclosed
WO-2002096873-A1 ISOINDOLE AND ISOQUINOLINE DERIVATIVES AS INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-12-05 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-20030114448-A1 Inhibitors of factor Xa SERPINC1, F11, TFPI ROCK1 1763/4885NCF1 206/4885PLAU 33/4885

“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.