SCHEMBL4723618

SCHEMBL4723618

CCOc1ccc2ccccc2c1-c1[c]nn[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
DHFR P00374 1/20 0.47
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 1/20 0.42
MAPT P10636 1/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
G6PD P11413 1/20 0.38
TLR8 Q9NR97 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL4765490 0.89 MEN1 (0.44) ALOX5DHFRMAPTKMT2AGAA
SCHEMBL4720100 0.88 GAA (0.50) ALOX5GAACYP2C9CYP2C19TLR8
SCHEMBL4724591 0.84 MAPT (0.62) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL2045141 0.80 ALOX5 (0.65) ALOX5DHFRS1PR1S1PR3MAPT
SCHEMBL30142113 0.80 ALOX5 (0.65) ALOX5DHFRS1PR1S1PR3MAPT
SCHEMBL4767143 0.78 ALDH1A1 (0.48) DHFRMAPTKMT2AMEN1ALDH1A1
SCHEMBL4724681 0.78 ALOX5 (0.50) ALOX5DHFRS1PR1S1PR3MAPT
SCHEMBL4723532 0.76 ALOX5 (0.51) ALOX5DHFRS1PR1S1PR3MAPT
SCHEMBL14665143 0.73 ALOX5 (0.57) ALOX5DHFRS1PR1S1PR3MAPT
SCHEMBL12223406 0.73 ALOX5 (0.57) ALOX5DHFRS1PR1S1PR3MAPT

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 ALOX5 245/4885DHFR 283/4885S1PR1 618/4885

“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.