SCHEMBL2906013

SCHEMBL2906013

Clc1cccc(-c2nc(NC3CCCCC3)c3ccccc3n2)n1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.67
PDE5A O76074 2/20 0.67
GBA1 P04062 7/20 0.59
MEN1 O00255 2/20 0.58
HSP90AA1 P07900 2/20 0.58
KMT2A Q03164 2/20 0.58
OGG1 O15527 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.54
TLR7 Q9NYK1 2/20 0.54
CYP1A2 P05177 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
MERTK Q12866 1/20 0.50

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
SCHEMBL2904395 0.85 ACP1 (0.67) ACP1PDE5AGBA1MEN1HSP90AA1
SCHEMBL2908412 0.82 ACP1 (0.70) ACP1PDE5AGBA1MEN1HSP90AA1
SCHEMBL4862541 0.80 ACP1 (1.00) ACP1PDE5AGBA1MEN1HSP90AA1
SCHEMBL12988643 0.79 ACP1 (0.68) ACP1PDE5AGBA1MEN1HSP90AA1
SCHEMBL1083845 0.79 ACP1 (1.00) ACP1PDE5AGBA1MEN1HSP90AA1
SCHEMBL14256445 0.77 ACP1 (0.67) ACP1PDE5AGBA1MEN1HSP90AA1
SCHEMBL1083972 0.76 ACP1 (0.85) ACP1PDE5AGBA1MEN1HSP90AA1
SCHEMBL12390570 0.75 MEN1 (0.97) ACP1PDE5AGBA1MEN1HSP90AA1
SCHEMBL9967073 0.75 MEN1 (0.97) ACP1PDE5AGBA1MEN1HSP90AA1
SCHEMBL24649614 0.74 NPY5R (0.79) ACP1PDE5AGBA1MEN1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966184-B1 PYRIDINYL-QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-08-25 EP claimed
US-20090306102-A1 2-PYRIDIN-2-YL-QUINAZOLINE DERIVATIVES AS POTASSIUM CHANNEL MODULATING AGENTS FOR THE TREATMENT OF RESPIRATORY DISEASES NEUROSEARCH A/S (DK) 2009-12-10 US claimed
EP-1966184-B1 PYRIDINYL-QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-08-25 EP disclosed
US-20090306102-A1 2-PYRIDIN-2-YL-QUINAZOLINE DERIVATIVES AS POTASSIUM CHANNEL MODULATING AGENTS FOR THE TREATMENT OF RESPIRATORY DISEASES NEUROSEARCH A/S (DK) 2009-12-10 US disclosed
EP-1966184-A2 PYRIDINYL-QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2008-09-10 EP disclosed
WO-2007071632-A2 2-PYRIDIN-2-YL-QUINAZOLINE DERIVATIVES AS POTASSIUM CHANNEL MODULATING AGENTS FOR THE TREATMENT OF RESPIRATORY DISEASES NEUROSEARCH A/S (DK) 2007-06-28 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-20090306102-A1 2-PYRIDIN-2-YL-QUINAZOLINE DERIVATIVES AS POTASSIUM CHANNEL MODULATING AGENTS FOR THE TREATMENT OF RESPIRATORY DISEASES KCNJ2, KCNQ1, KCNK2 ACP1 4648/4885PDE5A 697/4885GBA1 2047/4885

“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.