SCHEMBL5481545

SCHEMBL5481545

CC(C)c1nc(N)c2ncc(=O)[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 3/20 0.51
GLA P06280 2/20 0.51
LMNA P02545 1/20 0.51
PMP22 Q01453 1/20 0.51
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
THRB P10828 1/20 0.37
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
AKR1B1 P15121 3/20 0.34
CXCR2 P25025 1/20 0.32
MAPKAPK2 P49137 1/20 0.31
RPS6KA3 P51812 1/20 0.31
CSNK2A1 P68400 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
SCHEMBL5477813 0.85 KDM4E (0.47) KDM4EALDH1A1HSD17B10GLALMNA
SCHEMBL5481924 0.81 KDM4E (0.46) KDM4EALDH1A1HSD17B10GLALMNA
SCHEMBL5481549 0.75 KDM4E (0.51) KDM4EALDH1A1HSD17B10GLALMNA
SCHEMBL6009519 0.73 ADORA2A (0.38) KDM4EALDH1A1KMT2AMAPTGAA
SCHEMBL5612971 0.71 KDM4E (0.53) KDM4EALDH1A1HSD17B10GLALMNA
SCHEMBL8725013 0.70 ALDH1A1 (0.49) KDM4EALDH1A1HSD17B10GLALMNA
Isoxanthopterin SCHEMBL9148336 0.68 KDM4E (1.00) KDM4EALDH1A1HSD17B10GLALMNA
SCHEMBL3946766 0.68 KDM4E (0.45) KDM4EALDH1A1HSD17B10GLALMNA
SCHEMBL5477821 0.68 KDM4E (0.47) KDM4EALDH1A1HSD17B10GLALMNA
SCHEMBL22652124 0.66 MAPK8 (0.44) KDM4EALDH1A1HSD17B10GLALMNA

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 KDM4E 2810/4885ALDH1A1 1530/4885HSD17B10 1940/4885
US-20070142352-A1 Pteridinone Derivatives as Modulators of Chemokine Receptor Activity CCR5, CXCR3, CCR2 KDM4E 2810/4885ALDH1A1 1530/4885HSD17B10 1940/4885

“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.