SCHEMBL5578614

SCHEMBL5578614

COc1ccc(C2=NN=N[N]2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
TUBB1 Q9H4B7 2/20 0.41
MAOB P27338 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
SHMT2 P34897 1/20 0.40
PTPN1 P18031 2/20 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
SCHEMBL577589 0.80 MAPT (0.47) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL12326165 0.78 MAPT (0.56) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL29697785 0.78 MAPT (0.56) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL5578613 0.74 MAPT (0.50) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL31401478 0.70 MAPT (0.54) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL2494112 0.70 MAPT (0.54) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL28487175 0.69 MAPT (0.49) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL3924409 0.69 MAPT (0.57) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL5578518 0.69 DYRK1A (0.51) MAPTKDM4ESMN1; SMN2NPC1RAB9A
Water SCHEMBL8845490 0.68 MAPT (0.56) MAPTKDM4ESMN1; SMN2NPC1RAB9A

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 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 MAPT 4684/4885KDM4E 452/4885SMN1; SMN2 3463/4885
US-20050065073-A1 Aza-peptide macrocyclic hepatitis C serine protease inhibitors VIP, CTSC, PRSS1 MAPT 4748/4885KDM4E 510/4885SMN1; SMN2 3391/4885

“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.