SCHEMBL4723532

SCHEMBL4723532

CCOc1ccc2ccccc2c1-c1[c]nns1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
DHFR P00374 1/20 0.46
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
S1PR1 P21453 3/20 0.38
HPGD P15428 1/20 0.38
S1PR3 Q99500 1/20 0.38
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4722242 0.90 MEN1 (0.43) ALOX5DHFRMAPTTDP1KMT2A
SCHEMBL4765411 0.89 GAA (0.48) ALOX5DHFRMAPTTDP1KMT2A
SCHEMBL4721049 0.85 MAPT (0.58) MAPTALDH1A1HPGDKDM4EKMT2A
SCHEMBL2045141 0.78 ALOX5 (0.65) ALOX5DHFRMAPK1LMNAMAPT
SCHEMBL30142113 0.78 ALOX5 (0.65) ALOX5DHFRMAPK1LMNAMAPT
SCHEMBL4723618 0.76 ALOX5 (0.53) ALOX5DHFRMAPK1LMNAMAPT
SCHEMBL4724681 0.76 ALOX5 (0.50) ALOX5DHFRMAPK1LMNAMAPT
SCHEMBL4723561 0.75 ALDH1A1 (0.40) DHFRMAPTTDP1ALDH1A1HPGD
SCHEMBL17626122 0.72 ALOX5 (0.49) ALOX5DHFRMAPK1LMNAMAPT
SCHEMBL12223406 0.71 ALOX5 (0.57) ALOX5DHFRMAPK1LMNAMAPT

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 283/4885MAPK1 3922/4885

“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.