SCHEMBL5489090

SCHEMBL5489090

CCc1nc(N)nc2[nH]c(=O)c(C)nc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.36
CASP6 P55212 1/20 0.36
HTT P42858 1/20 0.36
HEXA P06865 5/20 0.33
HEXB P07686 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.32
DHFR P00374 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 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
SCHEMBL5477817 0.80 HEXA (0.35) HTTHEXAHEXBDHFR
SCHEMBL5481929 0.71 PDE5A (0.34) HEXAHEXBNPSR1
SCHEMBL29819457 0.70 KDM4E (0.51) NSD2CASP6ALDH1A1TP53KDM4E
SCHEMBL6423600 0.69 NSD2 (0.40) NSD2CASP6L3MBTL1ALDH1A1KDM4E
SCHEMBL8508802 0.66 HTT (0.43) NSD2CASP6HTTL3MBTL1ALDH1A1
SCHEMBL12844134 0.65 HEXA (0.37) HEXAHEXBALDH1A1TP53DHFR
SCHEMBL8720515 0.65 L3MBTL1 (0.52) NSD2CASP6HTTL3MBTL1ALDH1A1
SCHEMBL5612938 0.65 NSD2 (0.39) NSD2CASP6L3MBTL1ALDH1A1KDM4E
SCHEMBL17622541 0.64 MAPK1 (0.48) HTTALDH1A1KDM4EMAPK1
SCHEMBL15075241 0.63 ADORA3 (0.44) HEXAHEXBDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142352-A1 Pteridinone Derivatives as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2007-06-21 US disclosed
US-20050010047-A1 Pteridinone derivatives as modulators of chemokine receptor activity BONNERT ROGER VICTOR (GB) 2005-01-13 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 (2 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-20050010047-A1 Pteridinone derivatives as modulators of chemokine receptor activity CCR5, CXCR3, CCR2 NSD2 3302/4885CASP6 4525/4885HTT 4699/4885
US-20070142352-A1 Pteridinone Derivatives as Modulators of Chemokine Receptor Activity CCR5, CXCR3, CCR2 NSD2 3302/4885CASP6 4525/4885HTT 4699/4885

“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.