SCHEMBL4917499

SCHEMBL4917499

CCOC(=O)[C]1CNCCS1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.43
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
MAPK10 P53779 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL4922594 0.80 CHRM3 (0.44) KMT2AMAPTALDH1A1HPGDCYP1A2
SCHEMBL669565 0.71 GAA (0.45) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL3374626 0.71
SCHEMBL15775849 0.70
SCHEMBL11558141 0.68 SLC6A2 (0.55) ADORA1KDM4EMEN1KMT2AMAPT
SCHEMBL669568 0.67 ALDH1A1 (0.41) KDM4EMEN1KMT2AMAPTALOX15
SCHEMBL4921794 0.66 ADORA1 (0.40) ADORA1KDM4EMEN1KMT2AMAPT
SCHEMBL22917536 0.66 ADRA1D (0.42) ADORA1KDM4EMEN1KMT2AMAPT
SCHEMBL6222833 0.66 CHRM3 (0.67) ADORA1KDM4EMEN1KMT2AMAPT
SCHEMBL73853 0.64 KDM4E (0.46) ADORA1KDM4EMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 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 (1 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 ADORA1 25/4885KDM4E 2775/4885MEN1 4406/4885

“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.