SCHEMBL4939746

SCHEMBL4939746

Nc1cccc(CCc2ccc3ccccc3c2)n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.62
NOS1 P29475 3/20 0.47
NOS2 P35228 3/20 0.47
KCNH2 Q12809 1/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2A6 P11509 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SOX18 P35713 1/20 0.41
NOS3 P29474 1/20 0.41

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
SCHEMBL8989813 0.80 KCNH2 (0.73) BACE1NOS1NOS2KCNH2NOS3
SCHEMBL7737313 0.80 NOS1 (0.72) BACE1NOS1NOS2NOS3
SCHEMBL6240981 0.78 CYP1A2 (0.65) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL29560700 0.78 CYP1A2 (0.65) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL31060120 0.77 BACE1 (1.00) BACE1NOS1NOS2KCNH2NOS3
SCHEMBL4938783 0.77 BACE1 (1.00) BACE1NOS1NOS2KCNH2NOS3
SCHEMBL27371075 0.76 CYSLTR1 (0.49) BACE1CYP1A2CYP2A6SIGMAR1
SCHEMBL9827506 0.74 MAOB (0.61) BACE1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL25378088 0.73 NOS1 (0.72) BACE1NOS1NOS2NOS3
SCHEMBL9376258 0.73 RAB9A (0.56) BACE1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US claimed
CN-101124205-A Substituted aminopyridines and uses thereof ASTRAZENECA AB (SE) 2008-02-13 CN claimed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP claimed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO claimed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
CN-101124205-A Substituted aminopyridines and uses thereof ASTRAZENECA AB (SE) 2008-02-13 CN disclosed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 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-20080287399-A1 Substituted Aminopyridines and Uses Thereof PSEN2, SLC1A2, PSEN1 BACE1 30/4885NOS1 269/4885NOS2 253/4885

“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.