SCHEMBL4720526

SCHEMBL4720526

CCCCOc1n[c]nc(-c2cccc3ccccc23)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
CNR2 P34972 3/20 0.39
CNR1 P21554 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
HTR1D P28221 1/20 0.38
TLR8 Q9NR97 1/20 0.38
ALOX15 P16050 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTR2C P28335 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
SCHEMBL4721430 0.93 S1PR1 (0.39) HTR1BTDP1GAACNR2CNR1
SCHEMBL4720245 0.88 S1PR1 (0.45) L3MBTL1TDP1GAACHRNB4CHRNA3
SCHEMBL4724679 0.80 MAPT (0.36) L3MBTL1TDP1GAACNR2S1PR1
SCHEMBL4723678 0.79 BCHE (0.41) L3MBTL1ALDH1A1CYP2C9
SCHEMBL4723469 0.72 HTR1B (0.46) HTR1BL3MBTL1TDP1GAACNR2
SCHEMBL4720444 0.72 MAPT (0.40) L3MBTL1GAATLR8ALDH1A1
SCHEMBL4765519 0.70 HTR1B (0.39) HTR1BL3MBTL1TDP1GAACNR2
SCHEMBL4720155 0.70 TDP1 (0.39) HTR1BL3MBTL1TDP1GAACNR2
SCHEMBL4724147 0.70 HTR1B (0.39) HTR1BL3MBTL1TDP1GAACNR2
SCHEMBL5097262 0.70 TLR8 (0.39) HTR1BL3MBTL1TDP1GAACNR2

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 HTR1B 111/4885L3MBTL1 3954/4885TDP1 1332/4885

“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.