SCHEMBL4954440

SCHEMBL4954440

c1cc(C2=N[N]N=N2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
NOTUM Q6P988 1/20 0.40
DDAH1 O94760 1/20 0.36
NOS1 P29475 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
KIF11 P52732 2/20 0.34
CYP2D6 P10635 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
EIF4H Q15056 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL1854719 0.73 TDP1 (0.38) MAPTLMNANOTUMTP53PKM
SCHEMBL3904273 0.73 RAB9A (0.38) LMNANOTUMTP53KDM4ECYP1A2
SCHEMBL4141409 0.73 CYP2A6 (0.56) MAPTLMNATP53KIF11CYP2D6
SCHEMBL5578453 0.70 MAPT (0.48) MAPTLMNANOTUMDDAH1NOS1
SCHEMBL4132079 0.69 MKNK1 (0.40) KIF11TSHR
SCHEMBL577887 0.69 CA12 (0.46) MAPTLMNATP53KDM4ESMN1; SMN2
SCHEMBL9728 0.67 MAPT (1.00) MAPTLMNANOTUMDDAH1NOS1
SCHEMBL5578450 0.65 MAPT (0.56) MAPTLMNANOTUMDDAH1NOS1
SCHEMBL4022997 0.65 MAPT (0.48) MAPTLMNANOTUMDDAH1NOS1
Water SCHEMBL1648462 0.65 MAPT (0.92) MAPTLMNANOTUMDDAH1NOS1

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-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-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 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 (3 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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ MAPT 2976/4885LMNA 4184/4885NOTUM 2405/4885
US-20070021330-A1 Aza-peptide macrocyclic hepatitis c serine protease inhibitors VIP, CTSC, DPP4 MAPT 4684/4885LMNA 3634/4885NOTUM 1810/4885
US-20050065073-A1 Aza-peptide macrocyclic hepatitis C serine protease inhibitors VIP, CTSC, PRSS1 MAPT 4748/4885LMNA 3561/4885NOTUM 1601/4885

“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.