SCHEMBL4923644

SCHEMBL4923644

COC(=O)c1[c]nc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
HSP90AA1 P07900 1/20 0.40
PAX8 Q06710 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL4915820 0.83 CYP1A2 (0.45) KDM4EALDH1A1HPGDTSHRNPC1
SCHEMBL9022523 0.80 MGAM (0.47) ALOX15KDM4EALDH1A1HPGDTSHR
SCHEMBL5749007 0.78 IKBKB (0.49) KDM4EALDH1A1HPGDRAB9AKMT2A
SCHEMBL92710 0.75 ELANE (0.43) KDM4EALDH1A1HPGDTSHRNPC1
SCHEMBL3391383 0.71 HSP90AA1 (0.46) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL252593 0.70 KDM4E (0.47) HTTKDM4EALDH1A1HPGDNPC1
SCHEMBL29005379 0.70 KDM4E (0.51) ALOX15HTTKDM4EALDH1A1HPGD
SCHEMBL30212161 0.70 KDM4E (0.51) ALOX15HTTKDM4EALDH1A1HPGD
SCHEMBL2031896 0.69 ALOX15 (0.65) ALOX15HTTKDM4EALDH1A1HPGD
SCHEMBL68891 0.69 KDM4E (0.51) ALOX15HTTKDM4EALDH1A1HPGD

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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 ALOX15 2681/4885HTT 2935/4885KDM4E 2775/4885

“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.