SCHEMBL1922893

SCHEMBL1922893

CC(C)(C)OC(=O)N1CCC(Nc2ncnc3sccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.55
IRAK4 Q9NWZ3 2/20 0.54
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
BTK Q06187 2/20 0.51
ALDH1A1 P00352 2/20 0.50
PIK3CD O00329 2/20 0.50
PIK3CA P42336 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CNR1 P21554 2/20 0.48
CNR2 P34972 1/20 0.48
MALT1 Q9UDY8 1/20 0.47
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46

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
SCHEMBL1603977 0.82 GPR119 (0.52) GPR119IRAK4HTTBTKALDH1A1
SCHEMBL5034035 0.81 IRAK4 (0.64) IRAK4HTTSMN1; SMN2NPC1MAPT
SCHEMBL29230305 0.80 JAK1 (0.61) GPR119IRAK4BTK
SCHEMBL30945082 0.80 JAK1 (0.61) GPR119IRAK4BTK
SCHEMBL17080821 0.79 KIT (0.56) HTTSMN1; SMN2ALDH1A1NPC1MAPT
SCHEMBL31029626 0.78 IRAK4 (0.65) GPR119IRAK4BTKALDH1A1PIK3CD
SCHEMBL12533560 0.78 BTK (0.55) GPR119IRAK4HTTSMN1; SMN2BTK
SCHEMBL30902132 0.78 IRAK4 (0.65) GPR119IRAK4BTKALDH1A1PIK3CD
SCHEMBL20708018 0.78 GPR119 (0.56) GPR119IRAK4HTTSMN1; SMN2BTK
SCHEMBL1604853 0.78 MEN1 (0.49) GPR119IRAK4HTTBTKALDH1A1

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
EP-1622914-B1 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS TROVIS PHARMACEUTICALS LLC (US) 2011-06-01 EP disclosed
EP-1622914-B1 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS TROVIS PHARMACEUTICALS LLC (US) 2011-06-01 EP 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
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
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 (4 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 GPR119 216/4885IRAK4 1580/4885HTT 3169/4885
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds HTR5A, HTR2C, HTR1A GPR119 481/4885IRAK4 3027/4885HTT 1773/4885
US-20100113485-A1 Piperidinylamino-thieno[2,3-D] Pyrimidine Compounds HTR2B, HTR3B, HTR1B GPR119 565/4885IRAK4 4059/4885HTT 2061/4885
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR2B, HTR3B, HTR1B GPR119 565/4885IRAK4 4059/4885HTT 2061/4885

“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.