SCHEMBL2881233

SCHEMBL2881233

c1ccc(Cn2cnc3nc(-n4cccn4)nc(NC4CCCCC4)c32)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.50
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
YTHDC1 Q96MU7 1/20 0.37
EHMT2 Q96KQ7 2/20 0.36
MAPK8 P45983 1/20 0.36
BRS3 P32247 1/20 0.36

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
SCHEMBL3595003 0.82 CTSL (0.53) CTSLCTSBADORA3SMN1; SMN2YTHDC1
SCHEMBL4911813 0.74 ADORA2A (0.60) ADORA2AADORA3
SCHEMBL16331916 0.69 CTSL (0.61) ADORA2ACTSLCTSBADORA3ADORA1
SCHEMBL3609725 0.69 ADORA1 (0.59) ADORA2ACTSLCTSBADORA3ADORA1
SCHEMBL16626233 0.67 EGLN1 (0.67) ADORA2AEHMT2
SCHEMBL627355 0.67 EGLN1 (0.67) ADORA2A
SCHEMBL2548172 0.67 ADORA2A (1.00) ADORA2AADORA3ADORA1
SCHEMBL2550832 0.67 ADORA2A (0.77) ADORA2AADORA3ADORA1
SCHEMBL14992776 0.67 EGLN1 (0.51) ADORA2AEHMT2
SCHEMBL627346 0.67 EGLN1 (0.69) ADORA2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010522720-A 2010-07-08 JP claimed
US-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S/ (DK) 2010-06-17 US claimed
EP-2132208-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch AS (DK) 2009-12-16 EP claimed
WO-2008116911-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO claimed
US-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S/ (DK) 2010-06-17 US disclosed
US-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S/ (DK) 2010-06-17 US disclosed
US-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S/ (DK) 2010-06-17 US disclosed
EP-2132208-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch AS (DK) 2009-12-16 EP disclosed
WO-2008116911-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO disclosed
WO-2008116911-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-10-02 WO 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-20100152210-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 ADORA2A 295/4885CTSL 4083/4885CTSB 4269/4885

“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.