SCHEMBL4941238

SCHEMBL4941238

COc1cccc(-c2cccc(CCc3cccc(N)n3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 1.00
DHFR P00374 1/20 0.53
MAOB P27338 2/20 0.49
TAAR1 Q96RJ0 1/20 0.48
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
AOC3 Q16853 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL4935392 0.89 BACE1 (0.80) BACE1DHFRNOS1NOS2
SCHEMBL4937660 0.84 BACE1 (0.73) BACE1DHFRNOS1NOS2ADORA1
SCHEMBL4937539 0.84 BACE1 (0.73) BACE1DHFRMAOBTAAR1NOS1
SCHEMBL4940746 0.80 BACE1 (0.66) BACE1DHFRMAOBTAAR1NOS1
SCHEMBL29942020 0.80 BACE1 (0.66) BACE1MAOB
SCHEMBL4939874 0.79 BACE1 (0.65) BACE1DHFRMAOBADORA2AADORA1
SCHEMBL9391669 0.79 BACE1 (0.64) BACE1DHFRTAAR1CHRM2CHRM1
SCHEMBL17779986 0.78 BACE1 (0.62) BACE1MAOBTAAR1AOC3CHRM2
SCHEMBL4136983 0.77 BACE1 (1.00) BACE1
SCHEMBL4938657 0.77 BACE1 (0.62) BACE1DHFRNOS1NOS2ADORA2A

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
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US 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-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 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
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 30/4885DHFR 905/4885MAOB 244/4885

“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.