SCHEMBL21494786

SCHEMBL21494786

CC(N)C1CCNC(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
MAP3K12 Q12852 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
ROCK2 O75116 2/20 0.30
RPS6KA5 O75582 2/20 0.30
ROCK1 Q13464 2/20 0.30
PKN2 Q16513 2/20 0.30
LRRK2 Q5S007 2/20 0.30
CHUK O15111 1/20 0.30
PRKD3 O94806 1/20 0.30
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30
LTK P29376 1/20 0.30
CDK8 P49336 1/20 0.30
PRKX P51817 1/20 0.30
CDK5 Q00535 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 1/20 0.30

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
SCHEMBL2603220 0.83 TSHR (0.34) TSHRMAP3K12IRAK4TLR8TLR7
SCHEMBL24567762 0.83 TSHR (0.34) TSHRMAP3K12IRAK4TLR8TLR7
SCHEMBL24456537 0.83 TSHR (0.34) TSHRMAP3K12IRAK4TLR8TLR7
SCHEMBL26733562 0.80 TLR8 (0.33) TSHRMAP3K12TLR8TLR7TOP2A
SCHEMBL524079 0.79
SCHEMBL524081 0.79
SCHEMBL524080 0.79
SCHEMBL10195889 0.79
SCHEMBL26118608 0.78 SLC6A3 (0.39) IRAK4
SCHEMBL23866845 0.77 HCAR2 (0.35) TSHRIRAK4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220274979-A1 2-METHYL-AZA-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-09-01 US disclosed
EP-3781565-A1 2-METHYL-AZA-QUINAZOLINES Bayer Pharma Aktiengesellschaft (DE) 2021-02-24 EP disclosed
WO-2019201848-A1 2-METHYL-AZA-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-24 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-20220274979-A1 2-METHYL-AZA-QUINAZOLINES AZI2, DNMT1, TPMT TSHR 4254/4885MAP3K12 1943/4885IRAK4 3418/4885

“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.