SCHEMBL5849528

SCHEMBL5849528

CCc1cc2nc(Cl)nc(Cl)c2s1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.40
VCAM1 P19320 1/20 0.40
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
KMT2A Q03164 1/20 0.31
TMIGD3 P0DMS9 1/20 0.31
ADORA1 P30542 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
SCHEMBL5849843 0.84 SELE (0.39) SELEVCAM1PDE4BPDE7ANPC1
SCHEMBL5849051 0.84 SELE (0.39) SELEVCAM1PDE4BPDE7ANPC1
SCHEMBL20589390 0.82 PIK3CA (0.41)
SCHEMBL5849733 0.80 SELE (0.36) SELEVCAM1PDE4BPDE7A
SCHEMBL5848726 0.80 SELE (0.36) SELEVCAM1PDE4BPDE7AADORA1
SCHEMBL2535001 0.76 SMN1; SMN2 (0.32) PDE7AKMT2AADORA1
SCHEMBL30962138 0.75 SELE (0.56) SELEVCAM1PDE4BNPC1GAA
SCHEMBL1780319 0.75 ADORA2A (0.33) ADORA1
SCHEMBL7898875 0.74 PIK3CA (0.56)
SCHEMBL5851059 0.74 GAA (0.45) GAAMAPK1KMT2A

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 SELE 413/4885VCAM1 279/4885PDE4B 2591/4885

“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.