SCHEMBL23869735

SCHEMBL23869735

CC(C)(C)OC(=O)NCCc1nnc(-c2nccc(CN)n2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
LATS1 O95835 2/20 0.38
NQO2 P16083 1/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA12 O43570 5/20 0.38
CA9 Q16790 5/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL23869786 0.90 HTT (0.39) HTTLATS1NQO2STK17BSTK17A
SCHEMBL23869737 0.81 CYP3A4 (0.43) HTTLATS1STK17BSTK17ACA1
SCHEMBL23869793 0.76 KDM4A (0.42) LATS1STK17BSTK17ACA1CA2
SCHEMBL25497384 0.74 CKS1B (0.47) HTTNQO2ALDH1A1SMN1; SMN2PKM
SCHEMBL30392017 0.72 HTT (0.43) HTTLATS1NQO2CA1CA2
SCHEMBL22746305 0.72 ACACB (0.43) HTTLATS1NQO2ALDH1A1SMN1; SMN2
SCHEMBL6221982 0.72 STK17B (0.52) HTTNQO2STK17BSTK17ACA1
SCHEMBL30467285 0.72 STK17B (0.52) HTTNQO2STK17BSTK17ACA1
SCHEMBL17976838 0.71 TDP1 (0.54) HTTNQO2ALDH1A1SMN1; SMN2PKM
SCHEMBL18807647 0.69 BCHE (0.44) LATS1STK17BSTK17ACA1CA2

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-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 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-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD FCER2, SQLE, TTL HTT 2250/4885LATS1 2410/4885NQO2 2677/4885

“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.