SCHEMBL4723728

SCHEMBL4723728

CNc1[c]nc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 2/20 0.43
MAPT P10636 2/20 0.43
ACHE P22303 1/20 0.43
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
STAT3 P40763 1/20 0.37
NQO2 P16083 2/20 0.37
PDE10A Q9Y233 1/20 0.35
TLR8 Q9NR97 1/20 0.34
APP P05067 2/20 0.34
PDE2A O00408 2/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9637930 0.82 ALDH1A1 (0.41) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL4724624 0.82 APP (0.41) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL4724840 0.82 TLR8 (0.39) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL4720683 0.79 TLR8 (0.43) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL8879121 0.78 ALDH1A1 (0.38) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL4724189 0.78 ELANE (0.35) ALDH1A1HPGDGLAMAPTACHE
SCHEMBL4722779 0.77 TLR8 (0.55) ALDH1A1KDM4ETLR8
SCHEMBL4721803 0.77 ELANE (0.42) ALDH1A1GLAMAPTGAATDP1
SCHEMBL4722347 0.76 KCNH2 (0.40) TLR8CYP2D6
SCHEMBL521935 0.75 NQO2 (0.46) ALDH1A1HPGDGLAMAPTACHE

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 NCF1 2269/4885ALDH1A1 622/4885HPGD 800/4885

“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.