SCHEMBL4938783

SCHEMBL4938783

Nc1cccc(CCc2ccc3cc[nH]c3c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 1.00
NOS1 P29475 5/20 0.42
NOS2 P35228 3/20 0.42
NLRP3 Q96P20 3/20 0.39
NOS3 P29474 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL31060120 1.00 BACE1 (1.00) BACE1NOS1NOS2NLRP3NOS3
SCHEMBL4937000 0.88 BACE1 (0.79) BACE1NOS1NOS2NOS3
SCHEMBL4937813 0.77 BACE1 (0.62) BACE1NOS1NOS2NOS3
SCHEMBL4939746 0.77 BACE1 (0.62) BACE1NOS1NOS2NOS3KCNH2
SCHEMBL4934609 0.76 BACE1 (0.61) BACE1NOS1NOS2NOS3KCNH2
SCHEMBL29275230 0.75 BACE1 (0.59) BACE1NLRP3
SCHEMBL4139678 0.74 BACE1 (1.00) BACE1
SCHEMBL1253355 0.73 BACE1 (0.56) BACE1NLRP3
SCHEMBL4145711 0.71 BACE1 (1.00) BACE1
SCHEMBL8989813 0.71 KCNH2 (0.73) BACE1NOS1NOS2NOS3KCNH2

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 13 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-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 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
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

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.