SCHEMBL5118835

SCHEMBL5118835

N#Cc1ccc(Nc2n[n+]([O-])c3ccccc3[n+]2[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.40
ABCB1 P08183 7/20 0.40
GSK3B P49841 3/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
EGFR P00533 1/20 0.38
KDR P35968 1/20 0.38
MAPT P10636 1/20 0.37
ABCC1 P33527 2/20 0.36
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1G2 P78368 1/20 0.35
DHODH Q02127 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL5118511 0.75 MERTK (0.47) ABCG2ABCB1GSK3BEGFRKDR
SCHEMBL5120348 0.72 KMT2A (0.40) CA12CA1CA2CA9KDR
SCHEMBL5110319 0.69 NPSR1 (0.42) KDRMAPTLMNATSHR
SCHEMBL1880263 0.68 ABCG2 (0.42) ABCG2ABCB1EGFRKDRMAPT
SCHEMBL15008705 0.67 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL510240 0.66 ALDH1A1 (0.62) ABCG2ABCB1GSK3BEGFRKDR
SCHEMBL9481712 0.66 ALDH1A1 (0.62) ABCG2ABCB1GSK3BEGFRKDR
SCHEMBL395539 0.66 CA2 (0.52) ABCG2ABCB1CA12CA1CA2
SCHEMBL5111932 0.64 AURKA (0.42) GSK3BCA12CA1CA2CA9
SCHEMBL15008535 0.64 CA12 (0.41) CA12CA1CA2CA9

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-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors SENTINEL ONCOLOGY LIMITED (UK) 2008-09-25 US claimed
US-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors SENTINEL ONCOLOGY LIMITED (UK) 2008-09-25 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-20080234276-A1 Heterocyclic Triazines as Hypoxic Selective Protein Kinase Inhibitors HIF1AN, HIF1A, CDK2 ABCG2 1813/4885ABCB1 2797/4885GSK3B 429/4885

“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.