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
SCHEMBL3030276 0.75 ADH1B (0.61) ADH1BADH1CADH1AADH4ADH7
SCHEMBL19147156 0.75 — —

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.

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