SCHEMBL1604853

SCHEMBL1604853

CC(C)Cc1cc2c(NC3CCN(C(=O)OC(C)(C)C)CC3)ncnc2s1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 5/20 0.49
GPR119 Q8TDV5 3/20 0.48
KDM4E B2RXH2 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PIK3CD O00329 5/20 0.46
PIK3CA P42336 5/20 0.46
BTK Q06187 1/20 0.45

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
SCHEMBL1604873 0.87 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1PIK3CD
SCHEMBL1603977 0.84 GPR119 (0.52) GPR119IRAK4NPC1ALDH1A1MAPT
SCHEMBL5037731 0.83 MEN1 (0.55) MEN1KMT2AKDM4E
SCHEMBL1921147 0.79 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1PIK3CD
SCHEMBL29017076 0.79 PIK3CD (0.56) PIK3CDPIK3CABTK
SCHEMBL12710412 0.78 KDM4E (0.72) MEN1KMT2AKDM4EIRAK4ALDH1A1
SCHEMBL1922893 0.78 GPR119 (0.55) GPR119IRAK4NPC1ALDH1A1MAPT
SCHEMBL1604052 0.77 MEN1 (0.70) MEN1KMT2AKDM4EIRAK4ALDH1A1
SCHEMBL12533560 0.75 BTK (0.55) MEN1KMT2AGPR119IRAK4NPC1
SCHEMBL16031425 0.75 MEN1 (0.61) MEN1KMT2AGPR119KDM4E

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 13 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-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
US-7612078-B2 Piperidinylamino-thieno[2,3-D] pyrimidine compounds EPIX DELAWARE, INC. (US) 2009-11-03 US disclosed
EP-1797099-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS Epix Delaware, Inc. (US) 2007-06-20 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
US-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds PGXHEALTH, LLC 2005-10-06 US disclosed
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2005-10-06 US disclosed
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2004-12-09 US 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-20050222175-A1 New piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR5A, HTR3A, HTR1A MEN1 2389/4885KMT2A 4258/4885GPR119 216/4885
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds HTR5A, HTR2C, HTR1A MEN1 2833/4885KMT2A 3770/4885GPR119 481/4885
US-20100113485-A1 Piperidinylamino-thieno[2,3-D] Pyrimidine Compounds HTR2B, HTR3B, HTR1B MEN1 4118/4885KMT2A 3047/4885GPR119 565/4885
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR2B, HTR3B, HTR1B MEN1 4118/4885KMT2A 3047/4885GPR119 565/4885
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds HTR5A, HTR3A, HTR1A MEN1 2784/4885KMT2A 4320/4885GPR119 255/4885

“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.