SCHEMBL5481929

SCHEMBL5481929

CCCc1nc(N)nc2[nH]c(=O)c(O)nc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.34
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.33
BACE1 P56817 1/20 0.33
HEXA P06865 1/20 0.32
HEXB P07686 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ADORA1 P30542 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL5482101 0.73 PNP (0.31)
SCHEMBL5489090 0.71 NSD2 (0.36) HEXAHEXBNPSR1
SCHEMBL5477817 0.68 HEXA (0.35) HEXAHEXB
SCHEMBL17622541 0.64 MAPK1 (0.48) TSHRUSP2SMN1; SMN2GAAMAPT
SCHEMBL11860447 0.64 HEXA (0.38) HSP90AA1HEXAHEXB
SCHEMBL29290176 0.64 MAPT (0.31) MAPT
SCHEMBL2072604 0.63 HEXA (0.46) POLBHSP90AA1HEXAHEXB
SCHEMBL7822136 0.63 BLM (0.47) PDE5AUSP2POLBGAAMAPT
SCHEMBL27762061 0.62 GPR84 (0.44)
SCHEMBL10725121 0.62 CASP1 (0.46) TSHRBACE1SMN1; SMN2ADORA1NPSR1

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
EP-1419158-A1 PTERIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Astrazeneca AB (SE) 2004-05-19 EP claimed
WO-2003024966-A1 PTERIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-27 WO claimed
US-20070142352-A1 Pteridinone Derivatives as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2007-06-21 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-20070142352-A1 Pteridinone Derivatives as Modulators of Chemokine Receptor Activity CCR5, CXCR3, CCR2 PDE5A 187/4885TSHR 1627/4885USP2 4819/4885

“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.