SCHEMBL5578407

SCHEMBL5578407

COc1cccc(C2=N[N]N=N2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP4B1 P13584 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP3A5 P20815 1/20 0.46
CYP2A7 P20853 1/20 0.46
CYP3A7 P24462 1/20 0.46
CYP2F1 P24903 1/20 0.46
CYP2C18 P33260 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2J2 P51589 1/20 0.46
CYP4F2 P78329 1/20 0.46

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
SCHEMBL5578518 0.79 DYRK1A (0.51) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL577887 0.77 CA12 (0.46) DYRK1ACLK4KDM4EKMT2ARAB9A
SCHEMBL196765 0.76 CYP3A4 (0.73) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL29489425 0.76 CYP3A4 (0.73) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL5578517 0.76 DYRK1A (0.56) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
Hydrogen Sulfide SCHEMBL28640169 0.74 CYP3A4 (0.70) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
Ammonia Solution, Strong SCHEMBL27960505 0.74 CYP3A4 (0.70) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL29628977 0.74 CYP3A4 (0.77) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL7682548 0.74 DYRK1A (0.50) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL1180343 0.72 ABL1 (0.69) DYRK1ACLK4CYP1A1CYP1A2CYP2E1

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 4 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

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 DYRK1A 4756/4885CLK4 4491/4885CYP1A1 1388/4885
US-20050065073-A1 Aza-peptide macrocyclic hepatitis C serine protease inhibitors VIP, CTSC, PRSS1 DYRK1A 4764/4885CLK4 4536/4885CYP1A1 1343/4885

“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.