SCHEMBL4915482

SCHEMBL4915482

CCOC(=O)C1=CCC[N]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
FHIT P49789 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 2/20 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
SCHEMBL1662475 0.70 CYP1A2 (0.42) CYP1A2TSHRALDH1A1MAPTKDM4E
SCHEMBL43932 0.70
SCHEMBL10132606 0.69 CYP1A2 (0.44) CYP1A2TSHRALDH1A1MAPTKDM4E
SCHEMBL13743229 0.69 CYP1A2 (0.41) CYP1A2TSHRALDH1A1MAPTKDM4E
SCHEMBL692384 0.68 CYP1A2 (0.43) CYP1A2TSHRALDH1A1MAPTKDM4E
SCHEMBL678155 0.68 CYP1A2 (0.40) CYP1A2TSHRALDH1A1MAPTKDM4E
SCHEMBL819891 0.67 TSHR (0.45) CYP1A2TSHRALDH1A1MAPTKDM4E
SCHEMBL5338308 0.67 KMT2A (0.42) CYP1A2TSHRALDH1A1MAPTKDM4E
SCHEMBL29709832 0.66 LMNA (0.38) CYP1A2TSHRALDH1A1MAPTKDM4E
SCHEMBL19204714 0.66 CYP1A2 (0.38) CYP1A2TSHRALDH1A1MAPTKDM4E

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 CYP1A2 578/4885TSHR 337/4885ALDH1A1 849/4885

“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.