SCHEMBL689937

SCHEMBL689937

CCOC(=O)c1c(-c2cccnc2)csc1N

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.77
HSD17B10 Q99714 5/20 0.77
HPGD P15428 2/20 0.77
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
MAPT P10636 5/20 0.67
ALOX15 P16050 3/20 0.67
USP2 O75604 1/20 0.67
PRKCZ Q05513 10/20 0.67
PRKCI P41743 2/20 0.61
MAPK1 P28482 2/20 0.60
MPI P34949 1/20 0.60
GAA P10253 1/20 0.60
KEAP1 Q14145 1/20 0.60
TDP1 Q9NUW8 2/20 0.58
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
LMNA P02545 1/20 0.53
CDC7 O00311 1/20 0.51
DBF4 Q9UBU7 1/20 0.51

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
SCHEMBL689871 0.87 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL1190649 0.85 PRKCZ (0.80) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL689452 0.83 PRKCZ (0.80) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL12766014 0.82 ALDH1A1 (0.71) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL689612 0.81 HSD17B10 (0.77) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL8288638 0.81 PRKCZ (0.72) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL688690 0.81 MAPT (1.00) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL8289654 0.80 PRKCZ (1.00) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL690278 0.80 PRKCZ (0.84) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL8288636 0.80 ALDH1A1 (0.70) ALDH1A1HSD17B10HPGDMEN1KMT2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744812-B1 THERAPEUTICALLY ACTIVE FUSED PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-07-20 EP disclosed
US-9227984-B2 Therapeutically active fused pyrimidine derivatives UCB PHARMA S.A. (BE) 2016-01-05 US disclosed
US-20140309222-A1 Therapeutically Active Fused Pyrimidine Derivatives KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-10-16 US disclosed
EP-2744812-A2 THERAPEUTICALLY ACTIVE FUSED PYRIMIDINE DERIVATIVES UCB Pharma, S.A. (BE) 2014-06-25 EP disclosed
WO-2013024291-A2 THERAPEUTICALLY ACTIVE FUSED PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2013-02-21 WO disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
WO-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 WO disclosed
US-20100010017-A1 CERTAIN THIENOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-14 US disclosed
US-7576080-B2 Certain thienopyrimidine derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2009-08-18 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP disclosed
US-20070259896-A1 Certain thienopyrimidine derivatives as phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-08 US disclosed
EP-1831229-A1 THIENOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Memory Pharmaceutical Corporation (US) 2007-09-12 EP disclosed
WO-2006071988-A1 THIENOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORP. (US) 2006-07-06 WO disclosed
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 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 (5 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-20100010017-A1 CERTAIN THIENOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE12, PDE4A, PDE7A ALDH1A1 357/4885HSD17B10 268/4885HPGD 220/4885
US-20140309222-A1 Therapeutically Active Fused Pyrimidine Derivatives HAVCR2, TPMT, PAICS ALDH1A1 1119/4885HSD17B10 4202/4885HPGD 1690/4885
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1871/4885HSD17B10 1131/4885HPGD 587/4885
US-20070259896-A1 Certain thienopyrimidine derivatives as phosphodiesterase 10 inhibitors PDE12, PDE7A, PDE7B ALDH1A1 576/4885HSD17B10 237/4885HPGD 163/4885
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 ALDH1A1 423/4885HSD17B10 832/4885HPGD 131/4885

“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.