SCHEMBL4721975

SCHEMBL4721975

CCOc1cccc2c1C(c1ccccc1)[C]OO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
GLA P06280 1/20 0.36
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR1A P08908 1/20 0.33
LMNA P02545 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL4719889 0.89 HTR2C (0.36) L3MBTL1HTR2CHTR2BNPSR1MEN1
SCHEMBL4720547 0.88 CYP1A2 (0.40) KDM4E
SCHEMBL4723946 0.86 ALDH1A1 (0.38) NR3C1PGRNR3C2ALDH1A1L3MBTL1
SCHEMBL4720305 0.81 ENPP1 (0.38) HTR2AHTR2CHTR2BKMT2A
SCHEMBL4720536 0.75 HTR2C (0.37) L3MBTL1HTR2AHTR2CHTR2BMEN1
SCHEMBL4723823 0.74 CYP1A2 (0.42) HTR2BMEN1KMT2ALMNAMAPT
SCHEMBL4721222 0.71 HTR1B (0.40) HTR2CHTR2B
SCHEMBL4720812 0.70 TP53 (0.43) L3MBTL1TDP1
SCHEMBL4723599 0.67 FABP7 (0.39) NR3C1ALDH1A1L3MBTL1NPSR1MEN1
SCHEMBL4724619 0.67 ENPP1 (0.40) HTR2AHTR2CHTR2B

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 NR3C1 3791/4885PGR 384/4885NR3C2 3898/4885

“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.