SCHEMBL2385282

SCHEMBL2385282

O=CNC[C@@H]1CCCNC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.59
ADH1C P00326 1/20 0.59
ADH1A P07327 1/20 0.59
ADH4 P08319 1/20 0.59
ADH7 P40394 1/20 0.59
EPHX1 P07099 1/20 0.42
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
PBK Q96KB5 4/20 0.39
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
SLC6A1 P30531 4/20 0.37
SLC6A11 P48066 3/20 0.37
SLC6A13 Q9NSD5 3/20 0.37
GABRA5 P31644 2/20 0.37
GABRB2 P47870 2/20 0.37
SLC6A12 P48065 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRR1 P24046 1/20 0.37
GABRA4 P48169 1/20 0.37

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
SCHEMBL3469190 1.00 ADH1B (0.59) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3715748 0.88
SCHEMBL24202181 0.79 ADH1B (0.68) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3719122 0.79
SCHEMBL1608989 0.79
SCHEMBL26559407 0.77 CPN1 (0.39) EPHX1CPN1CPB2PBKBRD4
SCHEMBL304641 0.77
SCHEMBL14388385 0.76 EPHX1 (0.44) EPHX1CPN1CPB2PBKSLC6A1
SCHEMBL19147156 0.75
SCHEMBL3030276 0.75 ADH1B (0.61) ADH1BADH1CADH1AADH4ADH7

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
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP claimed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US claimed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO 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
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 (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-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 ADH1B 826/4885ADH1C 421/4885ADH1A 677/4885

“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.