SCHEMBL26014568

SCHEMBL26014568

N=CCc1ccc(-c2nncnn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ADRB2 P07550 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL21372065 0.78 MAPT (0.65) TP53MAPTKDM4ENPC1RAB9A
SCHEMBL9887574 0.75 ADRB2 (0.55) TP53MAPTKDM4EADRB2
SCHEMBL21440747 0.75 TP53 (0.48) TP53MAPTKDM4ENPC1RAB9A
SCHEMBL15383744 0.75 TP53 (0.53) TP53MAPTKDM4ENPC1RAB9A
SCHEMBL1299054 0.75 TP53 (0.48) TP53MAPTKDM4ENPC1RAB9A
SCHEMBL15305929 0.75 TP53 (0.48) TP53MAPTKDM4ENPC1RAB9A
SCHEMBL19543315 0.72 MAPT (0.50) TP53MAPTKDM4ENPC1RAB9A
SCHEMBL25457269 0.71 HRH3 (0.59) TP53MAPTKDM4E
SCHEMBL21130123 0.71 TP53 (0.44) TP53MAPTKDM4ENPC1RAB9A
SCHEMBL24267772 0.71 TP53 (0.44) TP53MAPTKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732001-B2 Methods of incorporating an amino acid comprising a BCN group into a polypeptide using an orthogonal codon encoding it and an orthogonal pylrs synthase UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2023-08-22 — — 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-11732001-B2 Methods of incorporating an amino acid comprising a BCN group into a polypeptide using an orthogonal codon encoding it and an orthogonal pylrs synthase COASY, BCAT1, FARSA TP53 3363/4885MAPT 4715/4885KDM4E 703/4885

“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.

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