SCHEMBL1781617

SCHEMBL1781617

O=[C]NCCCCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
MAPT P10636 1/20 0.45
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
RAD52 P43351 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
FPR3 P25089 2/20 0.38
FPR2 P25090 2/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1306925 0.94 HRH3 (0.46) HRH3MAPTCARM1PRMT6PRMT8
SCHEMBL1307275 0.92 HRH3 (0.50) HRH3MAPTCARM1PRMT6PRMT8
SCHEMBL1307630 0.85 CARM1 (0.50) HRH3MAPTCARM1PRMT6PRMT8
SCHEMBL348038 0.83 CARM1 (0.48) HRH3MAPTCARM1PRMT6PRMT8
SCHEMBL10502037 0.82 HPGD (0.47) SMN1; SMN2MAPK1LMNA
SCHEMBL5748703 0.80
SCHEMBL3927123 0.79 PAOX (0.44) SMN1; SMN2
SCHEMBL3949503 0.78 SMN1; SMN2 (0.40) MAPTSMN1; SMN2MAPK1LMNA
SCHEMBL3954098 0.78 ALDH1A1 (0.41) HRH3SMN1; SMN2MAPK1LMNA
SCHEMBL3937634 0.78 SLC2A1 (0.40) SMN1; SMN2MAPK1

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 6 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 claimed
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 claimed
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 claimed
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 HRH3 3561/4885MAPT 663/4885CARM1 4700/4885

“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.