SCHEMBL4053266

SCHEMBL4053266

CCOC(=O)C(C)n1nccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 4/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
FPR2 P25090 1/20 0.36
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 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
SCHEMBL5792153 0.82 ALDH1A1 (0.37) ALOX15ALDH1A1KDM4EHPGDGAA
SCHEMBL4059489 0.78 NPSR1 (0.41) NPSR1MAPTL3MBTL1ALOX15TSHR
SCHEMBL4083681 0.74 NLRP3 (0.40) MAPTL3MBTL1TSHRALDH1A1KDM4E
SCHEMBL3138975 0.74 NLRP3 (0.40) MAPTL3MBTL1TSHRALDH1A1KDM4E
SCHEMBL10028356 0.71 MAPT (0.40) MAPTL3MBTL1ALOX15TSHRALDH1A1
SCHEMBL10361017 0.71 ALDH1A1 (0.46) MAPTL3MBTL1TSHRALDH1A1KDM4E
SCHEMBL9460010 0.71 TBXA2R (0.41) MAPTALDH1A1KDM4EHPGDFPR2
SCHEMBL6171379 0.71 TBXA2R (0.41) MAPTALDH1A1KDM4EHPGDFPR2
SCHEMBL4057468 0.71 NPSR1 (0.36) NPSR1MAPTL3MBTL1ALOX15TSHR
SCHEMBL5795696 0.70 ALDH1A1 (0.42) ALOX15TSHRALDH1A1GAALMNA

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 5 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

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 NPSR1 204/4885MAPT 4799/4885L3MBTL1 3904/4885

“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.