SCHEMBL4720658

SCHEMBL4720658

COc1s[c]nc1-c1cccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.37
ALDH1A1 P00352 6/20 0.36
ALOX5 P09917 1/20 0.36
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA2A P29274 1/20 0.35
PDGFRB P09619 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ATM Q13315 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
SCHEMBL4720151 0.84 ENPP1 (0.39) PGK1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4724445 0.82 CNR1 (0.37) PGK1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL4765519 0.81 HTR1B (0.39) ALDH1A1TDP1L3MBTL1
SCHEMBL468159 0.75 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2MEN1RAB9A
SCHEMBL8543656 0.75 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7764731 0.74 BCHE (0.38) PGK1ALDH1A1ALOX5MAPTSMN1; SMN2
SCHEMBL4724387 0.70 ALOX15 (0.37) PGK1ALDH1A1ALOX5MAPTSMN1; SMN2
SCHEMBL4767199 0.70 BCHE (0.38) PGK1ALDH1A1ALOX5MAPTSMN1; SMN2
SCHEMBL4765413 0.69 PGK1 (0.41) PGK1ALDH1A1MAPTSMN1; SMN2MEN1
Methoxymethane SCHEMBL15104847 0.68 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2MEN1RAB9A

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 PGK1 1835/4885ALDH1A1 622/4885ALOX5 245/4885

“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.