SCHEMBL1781485

SCHEMBL1781485

COCCN1CCC(N[C]=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.45
BRD4 O60885 2/20 0.39
ATAD2 Q6PL18 2/20 0.39
HTR4 Q13639 1/20 0.37
HSD11B1 P28845 1/20 0.37
ACKR3 P25106 1/20 0.37
CD38 P28907 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
PARP1 P09874 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PABPC1 P11940 1/20 0.34
CDK1 P06493 2/20 0.34
CDK4 P11802 2/20 0.34
CCNA2 P20248 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
CCND3 P30281 2/20 0.34
CDK6 Q00534 2/20 0.34
KAT2B Q92831 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL963156 0.78 KDM1A (0.49) KDM1ABRD4ATAD2HTR4HSD11B1
SCHEMBL18551063 0.77 KDM1A (0.48) KDM1ABRD4ATAD2HTR4HSD11B1
SCHEMBL1307153 0.77 KDM1A (0.41) KDM1AHTR4HSD11B1SMN1; SMN2POLB
SCHEMBL4547142 0.77 KDM1A (0.48) KDM1ABRD4ATAD2HTR4HSD11B1
SCHEMBL1781486 0.76 KDM1A (0.45) KDM1ABRD4ATAD2HTR4HSD11B1
SCHEMBL1781918 0.76 SMN1; SMN2 (0.42) HSD11B1SMN1; SMN2
SCHEMBL1570155 0.75 HSD11B1 (0.44) KDM1ABRD4ATAD2HTR4HSD11B1
SCHEMBL18873644 0.75 KDM1A (0.47) KDM1ABRD4ATAD2HTR4HSD11B1
SCHEMBL4547144 0.75 KDM1A (0.50) KDM1ABRD4ATAD2HTR4HSD11B1
SCHEMBL25389091 0.75 KDM1A (0.47) KDM1AHTR4HSD11B1ACKR3CD38

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP 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 claimed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US claimed
US-8017611-B2 Pyridine and pyrazine derivatives -083 ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed
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-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 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 KDM1A 3277/4885BRD4 3407/4885ATAD2 1875/4885
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 KDM1A 1739/4885BRD4 240/4885ATAD2 3482/4885

“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.