SCHEMBL1780900

SCHEMBL1780900

CCCOC(=O)[N]C1CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 5/20 0.34
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOB P27338 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL7470478 0.83
SCHEMBL4759896 0.77 ALDH1A1 (0.40) HCAR2ALDH1A1LMNATSHRTDP1
SCHEMBL8396639 0.75 ALDH1A1 (0.37) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL7476610 0.75 ALDH1A1 (0.40) ALDH1A1LMNATSHRNOS3NOS2
SCHEMBL7476407 0.73 ALDH1A1 (0.42) ALDH1A1LMNAKDM4ETSHRNOS3
SCHEMBL8393516 0.73 ALDH1A1 (0.42) ALDH1A1LMNAKDM4ETSHRNOS3
SCHEMBL1679083 0.72 HCAR2 (0.43) PPM1BPTPN1PPP1CCHCAR2ALDH1A1
SCHEMBL2677427 0.72 HCAR2 (0.43) PPM1BPTPN1PPP1CCHCAR2ALDH1A1
SCHEMBL11423980 0.72 HCAR2 (0.43) PPM1BPTPN1PPP1CCHCAR2ALDH1A1
SCHEMBL26327507 0.72 PPM1B (0.37) PPM1BPTPN1PPP1CCHCAR2ALDH1A1

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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US disclosed
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP disclosed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
US-20090048269-A1 CHEMICAL COMPOUNDS-821 ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 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 (2 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 PPM1B 22/4885PTPN1 181/4885PPP1CC 202/4885
US-20090048269-A1 CHEMICAL COMPOUNDS-821 TGFBR1, TGFBR2, SMAD3 PPM1B 2072/4885PTPN1 2787/4885PPP1CC 4540/4885

“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.