SCHEMBL8170641

SCHEMBL8170641

Cc1cc(N)cc2c1CNC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 6/20 0.37
▸ ROCK1 Q13464 5/20 0.37
▸ PIM1 P11309 4/20 0.37
▸ DYRK1B Q9Y463 2/20 0.37
▸ CDK5 Q00535 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ KDR P35968 6/20 0.36
▸ NTRK1 P04629 3/20 0.36
▸ FLT3 P36888 3/20 0.36
▸ ROCK2 O75116 3/20 0.36
▸ MAP4K4 O95819 3/20 0.36
▸ LCK P06239 3/20 0.36
▸ RET P07949 3/20 0.36
▸ RPS6KB1 P23443 3/20 0.36
▸ BLK P51451 3/20 0.36
▸ STK3 Q13188 3/20 0.36
▸ TAOK1 Q7L7X3 3/20 0.36
▸ HIPK4 Q8NE63 3/20 0.36

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
SCHEMBL30019767 0.82 PARP10 (0.56) PARP10PARP11PARP1
SCHEMBL29144293 0.82 PARP10 (0.56) PARP10PARP11PARP1
SCHEMBL12240958 0.81 KDR (0.41) CLK4ROCK1PIM1DYRK1BCDK5
SCHEMBL8169835 0.79 GRM2 (0.44) CLK4ROCK1PIM1DYRK1BCDK5
SCHEMBL24147834 0.78 CLK4 (0.53) CLK4ROCK1PIM1DYRK1BCDK5
SCHEMBL25746072 0.78 CLK4 (0.44) CLK4ROCK1PIM1DYRK1BCDK5
SCHEMBL25994598 0.78 GRM2 (0.40) CLK4ROCK1PIM1DYRK1BCDK5
SCHEMBL23735699 0.78 PIK3CD (0.44) CLK4ROCK1PIM1DYRK1BCDK5
SCHEMBL12219914 0.75 HTR2A (0.38) CLK4ROCK1PIM1DYRK1BCDK5
SCHEMBL3252600 0.74 POLB (0.47) CLK4ROCK1PIM1DYRK1BCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
US-8039506-B2 Bicyclic lactam factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-18 — — US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 — — US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 — — US disclosed
WO-2008079759-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 — — 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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 CLK4 1808/4885ROCK1 1800/4885PIM1 4648/4885

“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.

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