SCHEMBL21361040

SCHEMBL21361040

O=C(ON1CCC=C(CCO)C1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
F2 P00734 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL22780923 0.83 CHRNB2 (0.34) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL27312693 0.79 TSHR (0.42) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL27045573 0.73 F2 (0.47) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL1266020 0.73 F2 (0.47) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL10389764 0.72 KMT2A (0.42) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL21673734 0.70 ALDH1A1 (0.48) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL2510973 0.69 KMT2A (0.50) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL25699197 0.69 F2 (0.42) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL17105128 0.68 MEN1 (0.51) KMT2AMEN1NPC1CYP2C19
SCHEMBL17066447 0.68 KMT2A (0.55) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3129372-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-12-16 EP disclosed
US-10414763-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-09-17 US 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-10414763-B2 Azaquinazoline inhibitors of atypical protein kinase C PRKCQ, PRKCA, PRKCZ CHRNB2 2998/4885CHRNA5 2992/4885CHRNA7 2474/4885

“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.