SCHEMBL4935392

SCHEMBL4935392

COc1cncc(-c2cccc(CCc3cccc(N)n3)c2)c1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.80
NOS1 P29475 2/20 0.50
NOS3 P29474 1/20 0.50
CYP11B1 P15538 8/20 0.46
CYP11B2 P19099 8/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
DHFR P00374 1/20 0.43
NOS2 P35228 1/20 0.42
FYN P06241 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
SCHEMBL4941238 0.89 BACE1 (1.00) BACE1NOS1DHFRNOS2
SCHEMBL4938657 0.80 BACE1 (0.62) BACE1NOS1NOS3CYP11B1CYP11B2
SCHEMBL4937660 0.79 BACE1 (0.73) BACE1NOS1NOS3DHFRNOS2
SCHEMBL7241090 0.76 CYP11B1 (0.51) BACE1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL4937539 0.74 BACE1 (0.73) BACE1NOS1DHFRNOS2
SCHEMBL18039076 0.74 CYP11B1 (0.50) BACE1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL981006 0.73 CYP11B1 (0.57) BACE1CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL4937900 0.71 BACE1 (0.61) BACE1NOS1NOS2
SCHEMBL4940746 0.70 BACE1 (0.66) BACE1NOS1DHFR
SCHEMBL14327635 0.70 CYP11B1 (0.52) BACE1CYP11B1CYP11B2CYP1A2CYP3A4

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 269/4885NOS3 318/4885

“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.