SCHEMBL5111051

SCHEMBL5111051

CNCCOc1ccc2c(c1)nc(Nc1cccnc1)n[n+]2[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
WEE1 P30291 1/20 0.37
MAPK1 P28482 2/20 0.36
SRC P12931 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NAMPT P43490 1/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 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
SCHEMBL5119807 0.89 PRKCD (0.39) CHRNB2CHRNA4TSHRCYP1A2CYP3A4
SCHEMBL5119393 0.88 CHRNB2 (0.46) CHRNB2CHRNA4TSHRCYP1A2CYP3A4
SCHEMBL14078722 0.83 CHRNB2 (0.47) CHRNB2CHRNA4TSHRCYP1A2CYP3A4
SCHEMBL5109166 0.81 CHRNB2 (0.52) CHRNB2CHRNA4TSHRCYP1A2CYP3A4
SCHEMBL5119505 0.77 CHRNB2 (0.46) CHRNB2CHRNA4TSHRCYP1A2CYP3A4
SCHEMBL5116913 0.77 CYP19A1 (0.43) CYP1A2CYP2C19HTTSRCNPC1
SCHEMBL5112463 0.76 NOS3 (0.39) CHRNB2CHRNA4LMNAALDH1A1HTR1D
SCHEMBL4589890 0.75 PDE5A (0.43) TSHRCYP1A2CYP3A4MAPK1NPC1
SCHEMBL5107999 0.75 KMT2A (0.49) TSHRCYP1A2CYP3A4HTTSMN1; SMN2
SCHEMBL14078720 0.70 ROCK2 (0.36) CHRNB2CHRNA4TSHRCYP1A2CYP3A4

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 CHRNB2 4743/4885CHRNA4 4816/4885TSHR 3492/4885

“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.