SCHEMBL4722902

SCHEMBL4722902

COC(=O)c1[c]c2cc3ccccc3cc2cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.44
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 1/20 0.44
HSP90AA1 P07900 1/20 0.43
PAX8 Q06710 1/20 0.43
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALPL P05186 1/20 0.40
TSHR P16473 1/20 0.39
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PLAU P00749 1/20 0.36
POLB P06746 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
SCHEMBL2167038 0.85 TSHR (0.42) SLC6A3SLC6A2SLC6A4HSP90AA1PAX8
SCHEMBL4722788 0.83 KDM4E (0.49) SLC6A3SLC6A2SLC6A4ALDH1A1KDM4E
SCHEMBL1128018 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL4721065 0.81 ALDH1A1 (0.47) SLC6A2ALDH1A1KDM4ETSHRHPGD
SCHEMBL3898987 0.80 MEN1 (0.41) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL4723198 0.79 TSHR (0.50) ALDH1A1KDM4ETSHRMAPTPOLB
SCHEMBL4724850 0.78 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRHPGDMEN1
SCHEMBL1127619 0.75 MEN1 (0.44) ALDH1A1TSHRMEN1MAPTKMT2A
SCHEMBL3391383 0.71 HSP90AA1 (0.46) SLC6A3SLC6A2SLC6A4HSP90AA1PAX8
SCHEMBL165293 0.71 ALDH1A1 (0.51) SLC6A3SLC6A2SLC6A4HSP90AA1PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 SLC6A3 2115/4885SLC6A2 3030/4885SLC6A4 533/4885

“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.