SCHEMBL1784640

SCHEMBL1784640

COc1cc(C2CCN(C)CC2)ccc1NC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.63
PDE4B Q07343 4/20 0.47
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
TTK P33981 2/20 0.47
EGFR P00533 3/20 0.47
TNK2 Q07912 1/20 0.46
INSR P06213 1/20 0.45
NPM1 P06748 1/20 0.45
ALK Q9UM73 1/20 0.45
MAPK7 Q13164 1/20 0.45
CHEK1 O14757 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 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
SCHEMBL2589415 0.90 QDPR (0.63) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL18764021 0.86 EGFR (0.49) QDPRPDE4BEGFRCHEK1
SCHEMBL18764013 0.85 MEN1 (0.58) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL1781447 0.84 QDPR (0.56) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL18764034 0.84 PDE4B (0.52) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL1781826 0.83 HTR2C (0.47) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL16992037 0.80 QDPR (0.64) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL18764111 0.79 EGFR (0.52) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL10208059 0.79 QDPR (0.70) QDPRPDE4BPDE4APDE4CPDE4D
SCHEMBL18310126 0.78 QDPR (0.66) QDPRPDE4BPDE4APDE4CPDE4D

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 QDPR 2121/4885PDE4B 4299/4885PDE4A 4120/4885

“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.