SCHEMBL703836

SCHEMBL703836

CCNC(=O)c1nn[nH]c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.52
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
PDE2A O00408 1/20 0.40
ACR P10323 1/20 0.39
GSK3B P49841 2/20 0.39
CHEK1 O14757 1/20 0.39
RET P07949 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
PDGFRA P16234 1/20 0.39
RPS6KA3 P51812 1/20 0.39
LIMK1 P53667 1/20 0.39
CDK5 Q00535 1/20 0.39
TYRO3 Q06418 1/20 0.39
MAPK14 Q16539 1/20 0.39
LRRK2 Q5S007 1/20 0.39
AURKB Q96GD4 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 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
SCHEMBL11810834 0.78 SMN1; SMN2 (0.44) PIN1HPGDGSK3BCHEK1RET
SCHEMBL20028652 0.77 KDM4E (0.46) PIN1HPGDNPC1ALDH1A1CYP1A2
SCHEMBL704640 0.77 ALDH1A1 (0.50) HPGDNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21635352 0.75 HDAC3 (0.41) MAPK14EGLN1
SCHEMBL27873777 0.74 IKBKB (0.46) HPGDNPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL28852253 0.73 ALDH1A1 (0.49) HPGDNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11534607 0.71 PIN1 (0.36) PIN1ALDH1A1SMN1; SMN2
SCHEMBL11400972 0.71 AKT1 (0.43) PIN1HPGDGSK3BCHEK1RET
SCHEMBL21854046 0.71 CAPN1 (0.51)
SCHEMBL23319191 0.70 EGLN1 (0.56) PIN1HPGDNPC1GSK3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
EP-1590442-A4 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-07-18 EP disclosed
CN-1771050-A macrocyclic inhibitors of hepatitis c serine protease ENANTA PHARM INC (US) 2006-05-10 CN disclosed
EP-1590442-A3 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-03 EP disclosed
EP-1590442-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 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-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 PIN1 114/4885HPGD 1076/4885NPC1 172/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 PIN1 117/4885HPGD 1092/4885NPC1 187/4885

“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.