SCHEMBL6650000

SCHEMBL6650000

CON=C(N)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.43
PLAU P00749 1/20 0.43
THPO P40225 1/20 0.43
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
APEX1 P27695 1/20 0.41
PRSS3 P35030 1/20 0.41
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
CYP19A1 P11511 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
PARP10 Q53GL7 1/20 0.39
MAPK1 P28482 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
SCHEMBL8974042 0.84 NPC1 (0.42) NPC1RAB9ACDK5CDK5R1L3MBTL1
SCHEMBL13882951 0.83 SMN1; SMN2 (0.54) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL14902858 0.83 SMN1; SMN2 (0.54) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL18070439 0.82 PARP10 (0.47) MASP2PLAUTHPOF2PRSS1
SCHEMBL6007355 0.81 NPC1 (0.58) NPC1RAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL9786513 0.80 CYP19A1 (0.41) MASP2PLAUTHPOF2PRSS1
SCHEMBL4722868 0.80 NPC1 (0.54) NPC1RAB9ACDK5CDK5R1L3MBTL1
SCHEMBL4722865 0.80 NPC1 (0.54) NPC1RAB9ACDK5CDK5R1L3MBTL1
SCHEMBL23901725 0.79 L3MBTL1 (0.49) NPC1RAB9ACDK5CDK5R1L3MBTL1
SCHEMBL3885627 0.78 CYP19A1 (0.45) MASP2PLAUTHPONPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482940-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-12-08 EP disclosed
US-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 US disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG MASP2 97/4885PLAU 14/4885THPO 346/4885

“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.