SCHEMBL4062800

SCHEMBL4062800

CCOC(=O)C(C)n1cnnn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
ALOX15 P16050 1/20 0.36
STAT5B P51692 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL11663254 0.80 PTGS2 (0.41) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL10639732 0.79 ALDH1A1 (0.37) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL17669198 0.79 ALDH1A1 (0.37) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL4057468 0.76 NPSR1 (0.36) ALDH1A1KDM4EHPGDMAPTALOX15
SCHEMBL11620177 0.74 GAA (0.39) ALDH1A1HSD17B10GAA
SCHEMBL10492500 0.72 ALDH1A1 (0.41) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL14908426 0.72 NPSR1 (0.41) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL10361017 0.72 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL10990974 0.71 ALDH1A1 (0.43) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL4059489 0.69 NPSR1 (0.41) ALDH1A1KDM4EHPGDMAPTGAA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569570-B2 Thienopyrimidines, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-04 US disclosed
US-7569570-B2 Thienopyrimidines, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-04 US disclosed
US-7569570-B2 Thienopyrimidines, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-04 US disclosed
US-20050222174-A1 Thienopyrimidines, process for preparing the same and use thereof TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-10-06 US disclosed
EP-1479684-A1 THIENOPYRIMIDINES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-11-24 EP disclosed
US-4831047-A Tetrazolyl compounds and insecticidal use thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-16 US disclosed
US-4829074-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-09 US disclosed
CN-86102389-A The preparation and the application thereof of the aralkyl compound that the azoles base replaces 1987-01-21 CN disclosed
EP-0194064-A2 Azolyl substituted aralkyl compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-09-10 EP disclosed
EP-0181687-A2 Tetrazolyl compounds useful as insectides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-05-21 EP disclosed
WO-1986002072-A1 TETRAZOLYL COMPOUNDS USEFUL AS INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-04-10 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-20050222174-A1 Thienopyrimidines, process for preparing the same and use thereof GNRHR, CRH, CYP19A1 ALDH1A1 2092/4885HSD17B10 1664/4885KDM4E 1786/4885

“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.