SCHEMBL26014756

SCHEMBL26014756

CCNC(=O)c1ccc(-c2nnc(-c3ccccn3)nn2)nc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.62
GABRA5 P31644 1/20 0.54
P4HTM Q9NXG6 2/20 0.51
PDE2A O00408 1/20 0.49
PDE10A Q9Y233 1/20 0.49
TP53 P04637 1/20 0.49
BAZ2B Q9UIF8 1/20 0.46
BRD4 O60885 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
RIPK1 Q13546 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL15748014 0.90 HPGDS (0.60) HPGDSGABRA5P4HTMTP53BAZ2B
SCHEMBL14082207 0.80 TRPV1 (0.58) HPGDSGABRA5PDE2APDE10ARIPK1
SCHEMBL15748102 0.80 HPGDS (0.48) HPGDSGABRA5BAZ2BRIPK1KMT2A
SCHEMBL27001722 0.78 LDHA (0.62) HPGDSGABRA5P4HTMTP53KDM4E
SCHEMBL21553939 0.78 SMN1; SMN2 (0.49) HPGDSKMT2AKDM4EHTTL3MBTL1
SCHEMBL24268560 0.76 TP53 (0.46) HPGDSP4HTMTP53KMT2ATRPM8
SCHEMBL13886161 0.76 CDK8 (0.56) HPGDSGABRA5PDE2APDE10ARIPK1
SCHEMBL14355073 0.76 HPGDS (0.55) HPGDSGABRA5PDE2ATP53BAZ2B
SCHEMBL25912773 0.76 P4HTM (0.54) HPGDSGABRA5P4HTMTP53BAZ2B
SCHEMBL15133134 0.75 HPGDS (0.48) HPGDSP4HTMKMT2AKDM4E

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 HPGDS 957/4885GABRA5 1275/4885P4HTM 132/4885

“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.