SCHEMBL1784325

SCHEMBL1784325

CCOc1cc(OCCN(C)C)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
ROCK2 O75116 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
LTA4H P09960 2/20 0.45
NPC1 O15118 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45

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
SCHEMBL1962418 0.86 ALDH1A1 (0.56) KDM4EALDH1A1MAPTHSD17B10ROCK2
Hydrochloric Acid SCHEMBL15994726 0.84 ALDH1A1 (0.59) KDM4EALDH1A1MAPTMAPK1HSD17B10
SCHEMBL5076662 0.83 MAPT (0.68) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL1962740 0.83 ALDH1A1 (0.56) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL1961553 0.82 KDM4E (0.48) KDM4EALDH1A1MAPTROCK2KEAP1
SCHEMBL110214 0.82 KEAP1 (0.56) KDM4EALDH1A1MAPTSMN1; SMN2ROCK2
SCHEMBL11708833 0.81 ALDH1A1 (0.61) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL1962348 0.81 LTA4H (0.65) KDM4EALDH1A1SMN1; SMN2KEAP1NFE2L2
SCHEMBL7353689 0.79 KEAP1 (0.53) KDM4EALDH1A1MAPTKEAP1NFE2L2
SCHEMBL1962803 0.78 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10SMN1; SMN2HRH3

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 KDM4E 4543/4885ALDH1A1 2972/4885MEN1 167/4885

“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.