SCHEMBL702632

SCHEMBL702632

COc1ccc(-c2[nH]nnc2-c2cn[nH]c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
BMPR1B O00238 1/20 0.42
KDR P35968 1/20 0.42
BMPR1A P36894 1/20 0.42
ACVRL1 P37023 1/20 0.42
TGFBR2 P37173 1/20 0.42
ACVR1 Q04771 1/20 0.42
BMPR2 Q13873 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
CLK2 P49760 1/20 0.41
HIPK1 Q86Z02 1/20 0.41
DYRK2 Q92630 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
HIPK3 Q9H422 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3276928 0.79 MAPK14 (0.53) KMT2AMEN1SCN4AKDM4ENPC1
SCHEMBL27630953 0.79 DYRK1B (0.45) KMT2AMAPTMEN1LMNAMAPK1
SCHEMBL27630900 0.79 GCGR (0.46) KMT2AMAPTMEN1LMNAMAPK1
SCHEMBL703856 0.77 NPC1 (0.55) KMT2AKDRACVR1MAPTSMN1; SMN2
SCHEMBL1186757 0.77 AKT2 (0.57) KMT2ABMPR1BKDRBMPR1AACVRL1
SCHEMBL411898 0.77 KMT2A (0.42) KMT2AMAPTMEN1LMNAMAPK1
SCHEMBL701773 0.77 XDH (0.49) KMT2ACLK4MAPTLMNASMN1; SMN2
SCHEMBL411907 0.77 GSK3A (0.43) KMT2AMAPTMEN1LMNAMAPK1
SCHEMBL411698 0.75 TUBB4A (0.56) KMT2AMAPTMEN1LMNAMAPK1
SCHEMBL702859 0.75 IDO1 (0.43) KMT2AKDRMAPTMEN1SCN4A

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 KMT2A 2443/4885BMPR1B 4422/4885KDR 4592/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 KMT2A 2595/4885BMPR1B 4319/4885KDR 4606/4885

“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.