SCHEMBL10033234

SCHEMBL10033234

Nc1ncnc2[nH]c(NCCCNC(=O)CCC(=O)O)nc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ APEX1 P27695 1/20 0.38
▸ PI4KA P42356 2/20 0.37
▸ PI4K2B Q8TCG2 2/20 0.37
▸ PI4K2A Q9BTU6 2/20 0.37
▸ PI4KB Q9UBF8 2/20 0.37
▸ AKR1B1 P15121 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PRKACA P17612 5/20 0.35
▸ SHMT2 P34897 1/20 0.34
▸ ADCY5 O95622 1/20 0.33
▸ SLC6A5 Q9Y345 1/20 0.33

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
SCHEMBL10033236 0.90 PI4KA (0.34) ALDH1A1KDM4EUSP2GAAHPGD
SCHEMBL7598522 0.73 PIM1 (0.50) ALDH1A1PI4KAPI4K2BPI4K2API4KB
SCHEMBL10033235 0.71 CA2 (0.58) ALDH1A1PRKACAADCY5
SCHEMBL13962790 0.67 KDM4E (0.52) KDM4E
SCHEMBL4581404 0.65 PI4KA (0.41) GAAPI4KAPI4K2BPI4K2API4KB
Adenine SCHEMBL28113159 0.64 APEX1 (0.40) ALDH1A1HSD17B10APEX1PI4KAPI4K2B
SCHEMBL8180590 0.64 ITGB3 (0.62) ALDH1A1GAASMN1; SMN2
SCHEMBL6812011 0.63 PRMT1 (0.56) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8863983 0.62 ALDH1A1 (0.49) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL2807061 0.61 PRMT1 (0.60) ALDH1A1KDM4ESMN1; SMN2

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-8158376-B2 Bisubstrate fluorescent probe binding to protein kinases UNIVERSITY OF TARTU (EE) 2012-04-17 — — US disclosed
US-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES UNIVERSITY OF TARTU (EE) 2010-09-16 — — US disclosed
US-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES UNIVERSITY OF TARTU (EE) 2010-09-16 — — 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-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES ADK, PRKCH, DMPK ALDH1A1 4578/4885KDM4E 1908/4885USP2 2180/4885

“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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