SCHEMBL1781835

SCHEMBL1781835

CCOc1cc(N2CCCN(C)CC2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
GAA P10253 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 2/20 0.52
PTK2B Q14289 2/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
CHKA P35790 1/20 0.47
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NCF1 P14598 1/20 0.45
LMNA P02545 1/20 0.45
S1PR1 P21453 1/20 0.44
ADRA2C P18825 2/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL29508973 0.94 MAPT (0.58) MAPTGAAKDM4EMAPK1PTK2B
SCHEMBL1912036 0.94 MAPT (0.58) MAPTGAAKDM4EMAPK1PTK2B
SCHEMBL1911970 0.89 MAPT (0.59) MAPTGAAKDM4EMAPK1PTK2B
SCHEMBL15358735 0.89 MAPT (0.58) MAPTGAAKDM4EMAPK1PTK2B
SCHEMBL521118 0.85 MAPT (0.56) MAPTGAAKDM4EMAPK1PTK2B
SCHEMBL30682412 0.85 MAPT (0.56) MAPTGAAKDM4EMAPK1PTK2B
SCHEMBL12312297 0.83 MAPT (0.55) MAPTGAAKDM4EMAPK1PTK2B
SCHEMBL15928743 0.83 MAPT (0.54) MAPTGAAKDM4EMAPK1PTK2B
SCHEMBL30900372 0.83 MAPT (0.54) MAPTGAAKDM4EMAPK1PTK2B
SCHEMBL310612 0.82 DRD2 (0.51) MAPTGAAKDM4EMAPK1PTK2B

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-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

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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 MAPT 663/4885GAA 1651/4885KDM4E 4543/4885

“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.