SCHEMBL17429765

SCHEMBL17429765

CCOc1cc(-c2cc(CCl)cnc2OCC)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ ACVR2A P27037 4/20 0.33
▸ TGFBR2 P37173 4/20 0.33
▸ CYP19A1 P11511 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA5 P31644 2/20 0.32
▸ GABRA3 P34903 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ PTGER2 P43116 1/20 0.31

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
SCHEMBL16114415 0.92 PDE10A (0.40) PDE10AEGLN1DYRK1AACVR2ATGFBR2
SCHEMBL16114251 0.89 AAK1 (0.33) PDE10AEGLN1DYRK1AAAK1ACACB
SCHEMBL16114112 0.88 PTGES (0.36) PDE10ADYRK1APTGS2ACVR2ATGFBR2
SCHEMBL16113421 0.79 PDE10A (0.40) PDE10AEGLN1DYRK1APTGS2ACVR2A
SCHEMBL17429766 0.78 PDE4B (0.41) DYRK1AMAPT
SCHEMBL16114428 0.77 P2RX7 (0.34) PDE10AEGLN1
SCHEMBL16113426 0.76 PTGES (0.37) PDE10ADYRK1AACVR2ATGFBR2AAK1
SCHEMBL20083196 0.76 PDE10A (0.39) PDE10AEGLN1PTGS2PTGER2ACACB
SCHEMBL16113412 0.75 PDE10A (0.38) PDE10AEGLN1DYRK1AACVR2ATGFBR2
SCHEMBL16113538 0.75 DYRK1A (0.38) PDE10AEGLN1DYRK1AACVR2ATGFBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160009691-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE, LLC 2016-01-14 — — US 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-20160009691-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D PDE10A 17/4885EGLN1 3289/4885DYRK1A 1225/4885

“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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