SCHEMBL5111055

SCHEMBL5111055

[O-][n+]1nc(Nc2ccc(N3CCNCC3)cc2)[n+]([O-])c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
ADRB1 P08588 4/20 0.42
HTR3E A5X5Y0 3/20 0.42
HTR3B O95264 3/20 0.42
HTR3A P46098 3/20 0.42
HTR3D Q70Z44 3/20 0.42
HTR3C Q8WXA8 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
HTR6 P50406 2/20 0.41
LTA4H P09960 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39
CDK4 P11802 3/20 0.37
CDK6 Q00534 3/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTK2 Q05397 1/20 0.37
ADRB2 P07550 1/20 0.37

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
SCHEMBL5113047 0.87 KDM1A (0.44) KDM1AADRB1HTR3EHTR3BHTR3A
SCHEMBL5114062 0.85 ADRB1 (0.45) KDM1AADRB1HTR3EHTR3BHTR3A
SCHEMBL5120404 0.84 CDK4 (0.47) CDK4CDK6
SCHEMBL5105082 0.84 KCNH2 (0.41) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5104884 0.79 KDM1A (0.55) KDM1APOLBKMT2ACDK4CDK6
SCHEMBL5120446 0.78 CA12 (0.46) ALDH1A1HSD17B10KDM4E
SCHEMBL5112098 0.77 HTR7 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14078749 0.77 KDM1A (0.43) KDM1AADRB1HTR3EHTR3BHTR3A
SCHEMBL14078760 0.74 ADRB1 (0.43) KDM1AADRB1HTR3EHTR3BHTR3A
SCHEMBL5118835 0.74 ABCG2 (0.40) TSHRLMNA

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 4 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
EP-1846392-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS Sentinel Oncology Limited (GB) 2007-10-24 EP claimed
WO-2006131835-A2 HETEROCYCLIC TRIAZINES AS HYPOXIC SELECTIVE PROTEIN KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2006-12-14 WO 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 KDM1A 1103/4885ADRB1 2847/4885HTR3E 2282/4885

“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.