SCHEMBL4870720

SCHEMBL4870720

Nc1nc(Cl)c2c(n1)-c1ccc(I)cc1OCC2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.33
ESRRB O95718 2/20 0.33
ESRRA P11474 2/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
HSP90B1 P14625 2/20 0.32
TRAP1 Q12931 2/20 0.32
HSP90AA1 P07900 1/20 0.32
PIK3CA P42336 1/20 0.31
SLC9A1 P19634 1/20 0.31

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
SCHEMBL4874185 0.84 MAOA (0.35) DYRK1AESRRBESRRAMAOBMAOA
SCHEMBL4874208 0.82 NPY5R (0.43) MAOBPIK3CA
SCHEMBL4868596 0.80 CTSL (0.41) DYRK1AMAOBHSP90B1TRAP1HSP90AA1
SCHEMBL605361 0.77 HRH4 (0.55)
SCHEMBL605068 0.72 HRH4 (0.59)
SCHEMBL606717 0.71 HRH4 (0.52)
SCHEMBL4879399 0.68 CTSL (0.43) DYRK1APIK3CA
SCHEMBL4728838 0.67 MAOB (0.66) MAOBMAOA
SCHEMBL4879144 0.66 NPY5R (0.43) PIK3CASLC9A1
SCHEMBL11160205 0.65 ACHE (0.37) HSP90B1TRAP1

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-8735411-B2 Macrocyclic benzofused pyrimidine derivatives ABBVIE INC. (US) 2014-05-27 US disclosed
US-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives ABBVIE INC. 2008-08-07 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-20080188452-A1 Macrocyclic Benzofused Pyrimidine Derivatives DPYD, TYMS, UMPS DYRK1A 4609/4885ESRRB 3696/4885ESRRA 4065/4885

“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.