SCHEMBL5109166

SCHEMBL5109166

CNCCOc1ccc2nnc(Nc3cccnc3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52
SRC P12931 7/20 0.43
WEE1 P30291 1/20 0.39
APP P05067 1/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
BRAF P15056 1/20 0.38
CYP19A1 P11511 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 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
PDGFRB P09619 1/20 0.38
MAPT P10636 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
SCHEMBL5106026 0.86 SRC (0.44) SRCAPPTSHRMAPK1BRAF
SCHEMBL5118189 0.86 CHRNB2 (0.51) CHRNB2CHRNA4SRCBRAF
SCHEMBL5111051 0.81 CHRNB2 (0.48) CHRNB2CHRNA4SRCWEE1TSHR
SCHEMBL5118892 0.73 HTR1D (0.42) CHRNB2CHRNA4
SCHEMBL5118733 0.73 SRC (0.51) SRCCYP19A1NPC1RAB9ACYP1A2
SCHEMBL5110635 0.72 KMT2A (0.57) SRCTSHRMAPK1NPC1RAB9A
SCHEMBL5105062 0.71 SRC (0.51) SRCTSHRMAPK1NPC1RAB9A
SCHEMBL30756567 0.70 CHRNB2 (1.00) CHRNB2CHRNA4
SCHEMBL7101352 0.70 CHRNB2 (1.00) CHRNB2CHRNA4
SCHEMBL14078722 0.70 CHRNB2 (0.47) CHRNB2CHRNA4TSHRMAPK1NPC1

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 5 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
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 4816/4885SRC 491/4885

“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.