SCHEMBL8184445

SCHEMBL8184445

Nc1ccc2c(c1F)C(=O)NC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.44
KDR P35968 3/20 0.39
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
DRD2 P14416 8/20 0.36
HTR2A P28223 8/20 0.36
SLC6A4 P31645 8/20 0.36
HTR1A P08908 6/20 0.36
NTRK2 Q16620 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
GRM5 P41594 1/20 0.34
NTRK1 P04629 2/20 0.33
FLT3 P36888 2/20 0.33
GSK3B P49841 2/20 0.33
JAK2 O60674 1/20 0.33
MET P08581 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 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
SCHEMBL18863217 0.78 AURKA (0.44) AURKAKDRCA12CA9DRD2
SCHEMBL12240957 0.78 CLK4 (0.43) AURKAKDRCA12CA9DRD2
SCHEMBL29875305 0.78 AURKA (0.40) AURKAKDRCA12CA9DRD2
SCHEMBL4729863 0.78 AURKA (0.44) AURKAKDRCA12CA9DRD2
SCHEMBL12219913 0.74 AURKA (0.37) AURKAKDRCA12CA9DRD2
SCHEMBL4725954 0.74 DRD2 (0.43) AURKAKDRDRD2HTR2ASLC6A4
SCHEMBL1585047 0.73 AURKA (0.59) AURKAKDRCA12CA9CLK1
SCHEMBL31158741 0.71 HTR2A (0.42) AURKAKDRCA12CA9DRD2
SCHEMBL2024524 0.70 AURKA (0.40) AURKAKDRCA12CA9DRD2
SCHEMBL2527674 0.70 KDR (0.38) AURKAKDRCLK4DYRK1BNTRK1

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 AURKA 1551/4885KDR 2792/4885CA12 1594/4885

“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.