SCHEMBL21494787

SCHEMBL21494787

NCCC1CCNC(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.34
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL5015068 0.86 OPRL1 (0.35) OPRL1
SCHEMBL319650 0.83
Hydrochloric Acid SCHEMBL25316005 0.82 IRAK4 (0.32) IRAK4
SCHEMBL5502631 0.80 CYP1A2 (0.37) OPRL1IRAK4
SCHEMBL7837579 0.80 BRD4 (0.39) OPRL1IRAK4
SCHEMBL22574702 0.79
SCHEMBL28731850 0.78 SIGMAR1 (0.40)
Hydrochloric Acid SCHEMBL16992674 0.78 SYK (0.31)
SCHEMBL26718370 0.77 CYP1A2 (0.46) OPRL1
SCHEMBL26064924 0.77

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 OPRL1 4875/4885IRAK4 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.