SCHEMBL5846724

SCHEMBL5846724

Nc1cccc(CNc2[c]cccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
BPTF Q12830 1/20 0.45
ELANE P08246 1/20 0.43
CYP19A1 P11511 2/20 0.41
EGFR P00533 2/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
IGF1R P08069 1/20 0.40
TDO2 P48775 1/20 0.40
FYN P06241 1/20 0.39
NAMPT P43490 1/20 0.36
ABL1 P00519 1/20 0.36
CYP3A4 P08684 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
MET P08581 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL693665 0.82 HSD17B10 (0.47) CYP3A4BACE1
SCHEMBL8063033 0.82 APP (0.48) IGF1R
SCHEMBL7092633 0.82 ALDH1A1 (0.33) BPTFBACE1
SCHEMBL5215530 0.80 NOS1 (0.39) AURKARECQL
SCHEMBL28101500 0.78 FFAR1 (0.51)
SCHEMBL4845448 0.78 VNN1 (0.47) MAOBMAOACYP3A4
SCHEMBL12473735 0.76 HDAC8 (0.48)
SCHEMBL17266296 0.75 MAOA (0.57) MAOBMAOAELANE
SCHEMBL5846731 0.75 MAOA (0.43) MAOBMAOABPTFELANECYP19A1
SCHEMBL6757752 0.74 HIF1A (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PHARMACIA CORPORATION 2003-12-25 US claimed
EP-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP claimed
WO-2001087851-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIMIDINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 WO claimed
US-7119094-B1 Substituted polycyclic aryl and heteroarpyl pyrazinones useful for selective inhibition of the coagulation cascade WARNER-LAMBERT COMPANY (US) 2006-10-10 US disclosed
EP-1292579-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-03-19 EP disclosed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 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-20030236257-A1 Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the cogulation cascade PLG, TFPI, PLAT MAOB 109/4885MAOA 147/4885BPTF 3323/4885

“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.