SCHEMBL17429767

SCHEMBL17429767

CCOc1cc(-c2cc(Cc3cnc(C(=O)OC)c(F)c3)cnc2OCC)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 3/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ CSF1R P07333 3/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ GPR52 Q9Y2T5 1/20 0.33
▸ ACVR2A P27037 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ TGFBR2 P37173 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ PTGER2 P43116 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ ACACB O00763 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ CNR1 P21554 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
SCHEMBL16113537 0.93 EGLN1 (0.34) EGLN1PTGS2CSF1RABL1GCK
SCHEMBL16114121 0.77 PTGS2 (0.32) PTGS2PDE10A
SCHEMBL16114582 0.76 UTRN (0.33) PTGS2ACVR2ATGFBR2PTGES
SCHEMBL17429765 0.74 PDE10A (0.37) EGLN1PTGS2ACVR2ATGFBR1TGFBR2
SCHEMBL16113412 0.73 PDE10A (0.38) EGLN1CSF1RACVR2ATGFBR1TGFBR2
SCHEMBL16113538 0.73 DYRK1A (0.38) EGLN1CSF1RACVR2ATGFBR1TGFBR2
SCHEMBL29501277 0.73 DYRK1A (0.38) EGLN1CSF1RACVR2ATGFBR1TGFBR2
SCHEMBL16046462 0.72 PTGES (0.36) CSF1RABL1GPR52PTGES
SCHEMBL16113421 0.72 PDE10A (0.40) EGLN1PTGS2ACVR2ATGFBR1TGFBR2
SCHEMBL16113240 0.70 CYP11B1 (0.38) PTGES

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 EGLN1 3289/4885PTGS2 1667/4885CSF1R 976/4885

“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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