SCHEMBL1604941

SCHEMBL1604941

CCOC(=O)c1cc(CC(C)C)sc1N

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.73
MAPK1 P28482 2/20 0.73
ALDH1A1 P00352 10/20 0.53
MAPT P10636 9/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
RAB9A P51151 5/20 0.53
HSD17B10 Q99714 4/20 0.53
NPC1 O15118 4/20 0.53
KMT2A Q03164 4/20 0.53
HPGD P15428 3/20 0.53
MEN1 O00255 3/20 0.53
ALOX15 P16050 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 2/20 0.51
FHIT P49789 1/20 0.43
TSHR P16473 1/20 0.41
KDM4E B2RXH2 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL11354602 0.85 GAA (0.51) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1973680 0.84 GAA (1.00) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5732298 0.82 GAA (0.49) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3099361 0.82 GAA (0.52) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL810348 0.82 GAA (0.77) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10705462 0.80 GAA (0.47) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1604863 0.79 GAA (0.63) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3113249 0.78 GAA (0.71) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3660548 0.78 GAA (0.71) GAAMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL69313 0.78 GAA (0.71) GAAMAPK1ALDH1A1MAPTSMN1; SMN2

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-1622914-B1 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS TROVIS PHARMACEUTICALS LLC (US) 2011-06-01 EP disclosed
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2011-04-07 US disclosed
EP-1797099-B1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE INC (US) 2010-08-11 EP disclosed
US-20100113485-A1 Piperidinylamino-thieno[2,3-D] Pyrimidine Compounds TROVIS PHARMACEUTICALS, LLC 2010-05-06 US disclosed
US-7612078-B2 Piperidinylamino-thieno[2,3-D] pyrimidine compounds EPIX DELAWARE, INC. (US) 2009-11-03 US disclosed
EP-1622914-A4 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS EPIX DELAWARE INC (US) 2008-03-12 EP disclosed
EP-1797099-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS Epix Delaware, Inc. (US) 2007-06-20 EP disclosed
US-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines ELI LILLY AND COMPANY 2006-11-30 US disclosed
EP-1664063-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2006-06-07 EP disclosed
US-7030240-B2 5-HT receptor antagonist; [1-(2-Fluoro-benzyl)-piperidin-4-yl]-(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-amine; treating vascular disorders, angina, migraine, pulmonary hypertension and systemic hypertension PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2006-04-18 US disclosed
WO-2006034511-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS EPIX DELAWARE, INC. (US) 2006-03-30 WO disclosed
EP-1622914-A2 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS Predix Pharmaceuticals Holdings, Inc. (US) 2006-02-08 EP disclosed
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2005-10-06 US disclosed
US-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds PGXHEALTH, LLC 2005-10-06 US disclosed
WO-2005026177-A1 SUBSTITUTED PIPERAZINES OF AZEPINES, OXAZEPINES, AND THIAZEPINES ELI LILLY AND COMPANY (US) 2005-03-24 WO disclosed
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2004-12-09 US disclosed
WO-2004089312-A2 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-10-21 WO disclosed
EP-0202538-B1 GROWTH PROMOTING AGENTS BAYER AG (DE) 1988-12-28 EP 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 (6 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-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR5A, HTR3A, HTR1A GAA 3962/4885MAPK1 1254/4885ALDH1A1 1234/4885
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds HTR5A, HTR2C, HTR1A GAA 4695/4885MAPK1 1788/4885ALDH1A1 1336/4885
US-20060270656-A1 Substituted piperazines of azepines, oxazepines and thiazepines HRH4, HRH2, HRH3 GAA 3554/4885MAPK1 3789/4885ALDH1A1 2523/4885
US-20100113485-A1 Piperidinylamino-thieno[2,3-D] Pyrimidine Compounds HTR2B, HTR3B, HTR1B GAA 4852/4885MAPK1 2155/4885ALDH1A1 1583/4885
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR2B, HTR3B, HTR1B GAA 4852/4885MAPK1 2155/4885ALDH1A1 1583/4885
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds HTR5A, HTR3A, HTR1A GAA 3639/4885MAPK1 1292/4885ALDH1A1 1014/4885

“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.