SCHEMBL2909067

SCHEMBL2909067

Clc1ccc(Nc2nc(-c3nccc4ccccc34)nc3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.66
PDE5A O76074 4/20 0.66
TP53 P04637 3/20 0.59
MAPT P10636 3/20 0.59
POLB P06746 2/20 0.59
GAA P10253 2/20 0.59
ALK Q9UM73 1/20 0.59
NPY5R Q15761 1/20 0.56
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 2/20 0.51
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
TGFBR1 P36897 2/20 0.51

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
SCHEMBL2907469 0.82 PDE5A (0.68) PDE5ATP53MAPTPOLBMEN1
SCHEMBL4971056 0.82 PDE5A (0.50) ABCG2PDE5ATP53MAPTPOLB
SCHEMBL4867505 0.80 ABCG2 (1.00) ABCG2PDE5ATP53MAPTPOLB
SCHEMBL2905521 0.78 ABCG2 (0.57) ABCG2PDE5ATP53MAPTPOLB
SCHEMBL31098966 0.78 TNF (0.57) ABCG2PDE5ATP53MAPTPOLB
SCHEMBL802109 0.76 GRM4 (0.43) ABCG2PDE5APOLBMEN1KMT2A
SCHEMBL1083786 0.75 GSK3B (0.46) ABCG2TP53MAPTLMNAALDH1A1
SCHEMBL1064901 0.75 TGFBR1 (0.82) ABCG2PDE5ATP53MAPTPOLB
SCHEMBL8901627 0.75 NPY5R (0.72) ABCG2PDE5ATP53MAPTPOLB
SCHEMBL8093527 0.74 ABCG2 (0.82) ABCG2PDE5ATP53MAPTPOLB

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 8 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-A2 PYRIDINYL-QUINAZOLINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2008-09-10 EP claimed
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 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 ABCG2 1586/4885PDE5A 697/4885TP53 4749/4885

“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.