SCHEMBL2913480

SCHEMBL2913480

Cc1cccc(-c2nc3ccccc3c(=O)[nH]2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 1/20 0.64
GAA P10253 1/20 0.64
HTT P42858 1/20 0.64
HIF1A Q16665 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TNKS2 Q9H2K2 10/20 0.60
TNKS O95271 9/20 0.60
PARP1 P09874 6/20 0.60
GUSB P08236 7/20 0.56
HPGD P15428 2/20 0.54
MAPT P10636 2/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
PARP2 Q9UGN5 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP1A1 P04798 1/20 0.52

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
SCHEMBL12758425 0.89 ALDH1A1 (0.73) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL6695759 0.80 TNKS2 (0.81) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL24743603 0.78 PARP1 (0.62) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL6122044 0.78 TNKS2 (0.56) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL10709261 0.78 NPC1 (1.00) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL29764050 0.78 NPC1 (1.00) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL21843249 0.78 ALDH1A1 (0.63) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL30169443 0.78 NPC1 (1.00) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL29484635 0.78 NPC1 (0.60) NPC1RAB9AALDH1A1LMNAGAA
SCHEMBL11570157 0.78 NPC1 (0.60) NPC1RAB9AALDH1A1LMNAGAA

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
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
WO-2004065392-A1 CONDENSED PYRIDINES AND PYRIMIDINES AND THEIR USE AS ALK-5 RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2004-08-05 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 NPC1 1135/4885RAB9A 1695/4885ALDH1A1 2985/4885

“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.