SCHEMBL13815577

SCHEMBL13815577

CCOC(=O)CC(=O)Nc1cc(N2CCOCC2)nn1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.46
▸ PIK3CA P42336 1/20 0.44
▸ DGAT1 O75907 7/20 0.41
▸ SOAT1 P35610 6/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ THRB P10828 1/20 0.38

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
SCHEMBL13815653 0.89 KMT2A (0.39) DGAT1SOAT1MAPTKDM4EALDH1A1
SCHEMBL13896446 0.86 EGFR (0.40) AKT1PIK3CADGAT1SOAT1POLB
SCHEMBL13896430 0.75 ADORA2A (0.37) MAPTALDH1A1LMNA
SCHEMBL13815574 0.74 PIK3CA (0.43) AKT1PIK3CADGAT1SOAT1MAPT
SCHEMBL13815624 0.74 PIK3CD (0.41) PIK3CAPOLBKDM4EALDH1A1GAA
SCHEMBL13815635 0.69 F2 (0.43) POLBMAPTALDH1A1HPGDTSHR
SCHEMBL15721871 0.66 MAPT (0.46) POLBMAPTALDH1A1LMNAGAA
SCHEMBL15311715 0.65 AKT1 (0.59) AKT1PIK3CAPOLBKDM4EALDH1A1
SCHEMBL19913062 0.65 AKT1 (0.53) AKT1PIK3CADGAT1SOAT1POLB
SCHEMBL5089230 0.64 GSK3B (0.58) PIK3CAPOLBMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 — — US disclosed
US-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 — — US disclosed
US-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS AJINOMOTO CO., INC. (JP) 2011-12-01 — — US disclosed
US-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS AJINOMOTO CO., INC. (JP) 2011-12-01 — — US 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-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS IL23R, IL2, IL17A AKT1 1157/4885PIK3CA 1490/4885DGAT1 2209/4885

“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.

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