SCHEMBL5850870

SCHEMBL5850870

CCc1cc2nc(O)nc(O)c2s1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ NPC1 O15118 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SELE P16581 1/20 0.30
▸ VCAM1 P19320 1/20 0.30
▸ PIK3R1 P27986 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL5849214 0.84 L3MBTL1 (0.38) PDE4BPDE7ANPC1GAAMAPK1
SCHEMBL5849234 0.80 PDE4B (0.34) PDE4BPDE7A
SCHEMBL5849502 0.80 PDE4B (0.34) PDE4BPDE7ANPC1RAB9AADORA2B
SCHEMBL2537095 0.76 PKM (0.34) PDE7ARAB9AADORA2BPIK3CA
SCHEMBL5849204 0.75 GAA (0.46) GAAMAPK1L3MBTL1ALDH1A1
SCHEMBL30259996 0.72 — —
SCHEMBL14087389 0.71 L3MBTL1 (0.45) NPC1RAB9AADORA1L3MBTL1SELE
SCHEMBL5849528 0.68 SELE (0.40) PDE4BPDE7ANPC1GAAMAPK1
SCHEMBL5849051 0.67 SELE (0.39) PDE4BPDE7ANPC1GAAMAPK1
SCHEMBL5849843 0.67 SELE (0.39) PDE4BPDE7ANPC1GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 — — US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 — — US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 — — 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 PDE4B 2591/4885PDE7A 2137/4885NPC1 3952/4885

“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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