SCHEMBL5578237

SCHEMBL5578237

COc1ccc2[c]cc(-c3nccs3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.47
ZAP70 P43403 3/20 0.47
SYK P43405 3/20 0.47
CYP1A1 P04798 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP1B1 Q16678 2/20 0.45
RAB9A P51151 2/20 0.40
PDGFRB P09619 2/20 0.40
PDGFRA P16234 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
SMPD3 Q9NY59 1/20 0.39
HPGDS O60760 1/20 0.38
CRHR1 P34998 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NQO2 P16083 1/20 0.38

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
SCHEMBL5578927 0.78 MAPT (0.46) CYP1A2RAB9APDGFRBPDGFRAKDM4E
SCHEMBL577618 0.77 CYP1A1 (0.38) CYP1A1CYP1A2CYP1B1RAB9APDGFRB
SCHEMBL2214288 0.75 CYP1A1 (0.46) SRCZAP70SYKCYP1A1CYP1A2
SCHEMBL2215511 0.74 KDM4E (0.56) RAB9AKDM4EMEN1NPC1ALDH1A1
SCHEMBL577492 0.72 SMN1; SMN2 (0.36) CYP1A1CYP1A2CYP1B1RAB9APDGFRB
SCHEMBL855589 0.71 POLB (0.49) CYP1A2RAB9AKDM4EMEN1NPC1
SCHEMBL577843 0.69 FBP1 (0.42) SRCZAP70SYKCYP1A1CYP1A2
SCHEMBL8272307 0.68 SMPD3 (0.47) SRCZAP70SYKCYP1A1CYP1A2
SCHEMBL12055102 0.68 CYP1A2 (0.46) SRCZAP70SYKCYP1A1CYP1A2
SCHEMBL8273118 0.68 CYP1A1 (0.46) SRCZAP70SYKCYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021330-A1 Aza-peptide macrocyclic hepatitis c serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-01-25 US claimed
US-7125845-B2 Aza-peptide macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2006-10-24 US claimed
US-20050065073-A1 Aza-peptide macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-03-24 US claimed
WO-2005010029-A1 AZA-PEPTIDE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2005-02-03 WO claimed
US-20070021330-A1 Aza-peptide macrocyclic hepatitis c serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-01-25 US disclosed
US-7125845-B2 Aza-peptide macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2006-10-24 US disclosed
US-20050065073-A1 Aza-peptide macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-03-24 US disclosed
WO-2005010029-A1 AZA-PEPTIDE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2005-02-03 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 (2 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-20070021330-A1 Aza-peptide macrocyclic hepatitis c serine protease inhibitors VIP, CTSC, DPP4 SRC 680/4885ZAP70 1246/4885SYK 3194/4885
US-20050065073-A1 Aza-peptide macrocyclic hepatitis C serine protease inhibitors VIP, CTSC, PRSS1 SRC 723/4885ZAP70 1326/4885SYK 3249/4885

“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.