SCHEMBL5118743

SCHEMBL5118743

[O-][n+]1nc(Nc2cccc(N3CCNCC3)c2)nc2cc(-c3ccccc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.49
HTR1A P08908 4/20 0.49
CAMK2D Q13557 1/20 0.45
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
HTR6 P50406 1/20 0.41
MARK3 P27448 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
MAP4K1 Q92918 1/20 0.40
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5111588 0.90 MAP4K1 (0.50) HTR7HTR1AJAK2POLBKMT2A
SCHEMBL14078705 0.89 HTR7 (0.49) HTR7HTR1ACAMK2DJAK2JAK3
SCHEMBL5111993 0.88 MARK3 (0.45) HTR7HTR1ACAMK2DJAK2JAK3
SCHEMBL5112098 0.82 HTR7 (0.50) HTR7HTR1ACAMK2DJAK2JAK3
SCHEMBL5112941 0.81 HTR7 (0.54) HTR7HTR1ACAMK2DJAK2JAK3
SCHEMBL14078710 0.78 MAP4K1 (0.50) HTR7HTR1AJAK2POLBKMT2A
SCHEMBL14078744 0.76 HTR7 (0.48) HTR7HTR1ACAMK2DJAK2JAK3
SCHEMBL5104884 0.76 KDM1A (0.55) PTK2POLBKMT2AALDH1A1CDK2
SCHEMBL4589890 0.75 PDE5A (0.43) KMT2AALDH1A1USP2CYP1A2CYP3A4
SCHEMBL5108246 0.75 STK17A (0.44) CAMK2DKDM1A

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 1 patent. 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

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 HTR7 1981/4885HTR1A 3015/4885CAMK2D 350/4885

“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.