SCHEMBL4719643

SCHEMBL4719643

[c]1ccccc1Oc1cccc2cc3ccccc3cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 2/20 0.31
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
RCE1 Q9Y256 1/20 0.31
KDR P35968 1/20 0.30
HPGD P15428 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
HTR1B P28222 1/20 0.30
ESRRA P11474 1/20 0.30

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
SCHEMBL37788 0.84 HTR1B (0.41) ALDH1A1GAAKDM4EMEN1MAPT
SCHEMBL1783813 0.80 NQO1 (0.46) NQO1ALDH1A1GAAKDM4EMEN1
Lithium SCHEMBL6571294 0.78 NQO1 (0.45) NQO1ALDH1A1GAAKDM4EMEN1
SCHEMBL9616917 0.78 NQO1 (0.45) NQO1ALDH1A1GAAKDM4EMEN1
SCHEMBL31474285 0.78 NQO1 (0.45) NQO1ALDH1A1GAAKDM4EMEN1
SCHEMBL10965997 0.78 KDM4E (0.35) ALDH1A1KDM4EMAPT
SCHEMBL3464859 0.76 GAA (0.46) NQO1ALDH1A1GAAKDM4EMEN1
SCHEMBL4719645 0.76 NQO1 (0.37) NQO1ALDH1A1GAAKDM4EMEN1
SCHEMBL443617 0.74 ALDH1A1 (0.48) NQO1ALDH1A1GAAKDM4EMEN1
SCHEMBL2555609 0.74 ALDH1A1 (0.48) NQO1ALDH1A1GAAKDM4EMEN1

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 13 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
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1896483-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-03-12 EP 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
EP-1869051-A1 4-PIPERAZINYLTHIENO Ý2,3-D¨PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-26 EP 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
EP-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006103544-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO 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
WO-2006103545-A1 4-PIPERAZINYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO 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
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 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 (3 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 NQO1 1215/4885ALDH1A1 622/4885GAA 3876/4885
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 NQO1 1178/4885ALDH1A1 1204/4885GAA 3333/4885
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 NQO1 1081/4885ALDH1A1 849/4885GAA 3146/4885

“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.