SCHEMBL314560

SCHEMBL314560

COC(=O)c1ccc(OC)c(Cl)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.53
ABL1 P00519 1/20 0.51
KDM4E B2RXH2 5/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
GLA P06280 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
CFTR P13569 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CLCN2 P51788 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 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
SCHEMBL313281 0.84 ALDH1A1 (0.54) KDM4EPOLBALDH1A1MAPTHPGD
SCHEMBL312482 0.84 ALDH1A1 (0.46) GAAKDM4EHSD17B10ALDH1A1MAPT
SCHEMBL1552911 0.84 KDM4E (0.55) GAAABL1KDM4EPOLBHSD17B10
SCHEMBL7555029 0.82 ABL1 (0.54) GAAABL1KDM4EPOLBHSD17B10
SCHEMBL857226 0.81 KDM4E (0.65) GAAABL1KDM4EPOLBHSD17B10
SCHEMBL2212660 0.81 KDM4E (0.51) GAAABL1KDM4EPOLBHSD17B10
SCHEMBL13959837 0.81 GAA (0.46) GAAABL1KDM4EHSD17B10ALDH1A1
SCHEMBL22219653 0.81 GAA (0.50) GAAABL1KDM4EHSD17B10ALDH1A1
SCHEMBL27972201 0.80 HMGCR (0.46) KDM4EALDH1A1KMT2AMEN1MAPK1
SCHEMBL24558234 0.79 ABL1 (0.51) GAAABL1KDM4EPOLBHSD17B10

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3126354-B1 HALOGENATED QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H LUNDBECK AS (DK) 2020-01-22 EP disclosed
US-20190144434-A1 HALOGENATED QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2019-05-16 US disclosed
US-10005764-B2 Halogenated quinazolin-THF-amines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2018-06-26 US disclosed
EP-3126354-A1 HALOGENATED QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H. Lundbeck A/S (DK) 2017-02-08 EP disclosed
US-20170022186-A1 Halogenated Quinazolin-THF-Amines as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2017-01-26 US disclosed
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 US disclosed
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 EP disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
WO-2015150254-A1 HALOGENATED QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2015-10-08 WO disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
EP-2250174-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2010-11-17 EP disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-01-21 US disclosed
WO-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
CN-1091100-C N-arylsulfilimine compounds and their use as catalysts for the preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 2002-09-18 CN disclosed
CN-1216040-A N-arylsulfilimine compounds and their use as catalysts in preparation of N-arylarylsulfonamide compounds DOW AGROSCIENCES LLC (US) 1999-05-05 CN 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 (7 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-20190144434-A1 HALOGENATED QUINAZOLIN-THF-AMINES AS PDE1 INHIBITORS PDE12, PDE3A, PDE7B GAA 529/4885ABL1 215/4885KDM4E 1012/4885
US-10005764-B2 Halogenated quinazolin-THF-amines as PDE1 inhibitors PDE12, PDE3A, PDE7B GAA 529/4885ABL1 215/4885KDM4E 1012/4885
US-20090202480-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 GAA 368/4885ABL1 2006/4885KDM4E 3667/4885
US-20170022186-A1 Halogenated Quinazolin-THF-Amines as PDE1 Inhibitors PDE12, PDE3A, PDE7B GAA 529/4885ABL1 215/4885KDM4E 1012/4885
US-20100016578-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 GAA 368/4885ABL1 2006/4885KDM4E 3667/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 GAA 388/4885ABL1 1841/4885KDM4E 3609/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 GAA 388/4885ABL1 1841/4885KDM4E 3609/4885

“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.