SCHEMBL1604873

SCHEMBL1604873

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.53
KDM4E B2RXH2 1/20 0.53
KMT2A Q03164 11/20 0.51
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
PIK3CD O00329 6/20 0.47
PIK3CA P42336 4/20 0.47

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
SCHEMBL1604853 0.87 MEN1 (0.49) MEN1KDM4EKMT2AALDH1A1PIK3CD
SCHEMBL1921147 0.85 MEN1 (0.45) MEN1KDM4EKMT2AALDH1A1HPGD
SCHEMBL5037731 0.83 MEN1 (0.55) MEN1KDM4EKMT2A
SCHEMBL12710412 0.82 KDM4E (0.72) MEN1KDM4EKMT2AALDH1A1HPGD
SCHEMBL1604052 0.82 MEN1 (0.70) MEN1KDM4EKMT2AALDH1A1
SCHEMBL5560085 0.81 HTR2B (0.52) MEN1KDM4EKMT2APIK3CDPIK3CA
SCHEMBL1604737 0.79 MEN1 (0.50) MEN1KDM4EKMT2A
SCHEMBL5037877 0.78 MEN1 (0.57) MEN1KDM4EKMT2A
SCHEMBL1604871 0.78 MEN1 (0.52) MEN1KDM4EKMT2A
Hydrochloric Acid SCHEMBL1921562 0.78 KDM4E (0.51) MEN1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1797099-A1 PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS Epix Delaware, Inc. (US) 2007-06-20 EP 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

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 MEN1 2389/4885KDM4E 4569/4885KMT2A 4258/4885
US-20100113485-A1 Piperidinylamino-thieno[2,3-D] Pyrimidine Compounds HTR2B, HTR3B, HTR1B MEN1 4118/4885KDM4E 3109/4885KMT2A 3047/4885
US-20050222176-A1 Piperidinylamino-thieno[2,3-D] pyrimidine compounds HTR2B, HTR3B, HTR1B MEN1 4118/4885KDM4E 3109/4885KMT2A 3047/4885
US-20110082157-A1 Piperidinylamino-Thieno [2,3-D] Pyrimidine Compounds HTR5A, HTR3A, HTR1A MEN1 2784/4885KDM4E 4614/4885KMT2A 4320/4885

“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.