SCHEMBL8296113

SCHEMBL8296113

Cc1cc2ccncc2cc1C(N)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.38
CLK1 P49759 2/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
DYRK1A Q13627 1/20 0.38
PRKCZ Q05513 1/20 0.37
IMPDH2 P12268 3/20 0.36
ABL1 P00519 1/20 0.36
PRMT3 O60678 1/20 0.36
HASPIN Q8TF76 5/20 0.35
ROCK1 Q13464 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34
PIM1 P11309 2/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 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
SCHEMBL8296112 1.00 ROCK2 (0.38) ROCK2CLK1CSNK1DCSNK1EDYRK1A
SCHEMBL19068654 0.81 PRKCZ (0.40) ROCK2CLK1CSNK1DCSNK1EDYRK1A
SCHEMBL13193051 0.81 PRKCZ (0.40) ROCK2CLK1CSNK1DCSNK1EDYRK1A
SCHEMBL8269232 0.78 UGT2B7 (0.39) TDP1
SCHEMBL8292355 0.78 CLK1 (0.46) CLK1CSNK1DCSNK1EDYRK1APRKCZ
SCHEMBL20313755 0.75 NR3C1 (0.40) ROCK2CLK1CSNK1DCSNK1EDYRK1A
SCHEMBL19369531 0.74 NR3C1 (0.39) ROCK2CLK1CSNK1DCSNK1EDYRK1A
SCHEMBL24165351 0.73 DAO (0.43) ROCK2CLK1CSNK1DCSNK1EDYRK1A
SCHEMBL3899557 0.73 DAO (0.43) ROCK2CLK1CSNK1DCSNK1EDYRK1A
SCHEMBL12778210 0.72 PRKCZ (0.44) CLK1CSNK1DCSNK1EDYRK1APRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960411-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-13 US disclosed
EP-1337251-B1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2008-08-20 EP disclosed
US-7371761-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-13 US disclosed
WO-2004108892-A2 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, β-AMINOACIDS, α-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-16 WO disclosed
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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-20100119510-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ROCK2 4435/4885CLK1 3307/4885CSNK1D 648/4885

“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.