SCHEMBL4720934

SCHEMBL4720934

CCCCNn1[c]cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 5/20 0.44
ASAH1 Q13510 1/20 0.35
TOP2A P11388 1/20 0.35
TLR8 Q9NR97 3/20 0.34
TSHR P16473 2/20 0.33
HTT P42858 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL4766886 0.84 CDK4 (0.31) HTT
SCHEMBL4723468 0.77 SLC6A2 (0.36)
SCHEMBL4722838 0.76 SMN1; SMN2 (0.36) TSHRHTTPOLBL3MBTL1
SCHEMBL4724707 0.75 TAS1R3 (0.32) TSHRHTTPOLB
SCHEMBL4724076 0.73 CA12 (0.31) ALDH1A1MAPT
SCHEMBL4724838 0.73 SLC6A2 (0.34)
SCHEMBL4724341 0.72 MEN1 (0.35) TSHRHTTALDH1A1POLBMAPT
SCHEMBL4142894 0.71 TLR8 (0.41) TLR8TSHRALDH1A1KDM4ENPSR1
SCHEMBL4723479 0.70 TDP1 (0.30) ALDH1A1
SCHEMBL5134510 0.70 TLR8 (0.43) TLR8HTTALDH1A1

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 CYP4Z1 1574/4885ASAH1 1282/4885TOP2A 819/4885

“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.