SCHEMBL4723561

SCHEMBL4723561

CCOc1ccccc1-c1[c]nns1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
PPARG P37231 1/20 0.40
STAT3 P40763 1/20 0.40
NCOA2 Q15596 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPRC P08575 1/20 0.39
PDE5A O76074 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
TTR P02766 1/20 0.38
GUSB P08236 1/20 0.38
MAPT P10636 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
EGFR P00533 1/20 0.36
DHFR P00374 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 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
SCHEMBL4721568 0.88 PDE5A (0.41) ALDH1A1HPGDKDM4EPDE5AMAPT
SCHEMBL4723651 0.87 CYP1A2 (0.48) KDM4EPDE5A
SCHEMBL4724808 0.82 APP (0.46) ALDH1A1HPGDKDM4ETDP1NPSR1
SCHEMBL5083181 0.81 KDM4E (0.41) ALDH1A1KDM4ETDP1PDE5AMEN1
SCHEMBL5083191 0.81 KDM4E (0.41) ALDH1A1KDM4ETDP1PDE5AMEN1
SCHEMBL5087245 0.81 CYP1A2 (0.35) KDM4ETDP1PDE5ANPSR1MAPT
SCHEMBL5081008 0.77 KDM4E (0.40) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL4723532 0.75 ALOX5 (0.51) ALDH1A1HPGDKDM4ETDP1MAPT
SCHEMBL5087247 0.74 ADRA2A (0.30)
SCHEMBL198911 0.73 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EPPARGSTAT3

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 ALDH1A1 622/4885HPGD 800/4885KDM4E 2584/4885

“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.