SCHEMBL26328902

SCHEMBL26328902

Cc1ccc(-c2nnc(CNC(=O)OC(C)(C)C)nn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NAMPT P43490 1/20 0.40
KDM4A O75164 1/20 0.40
HDAC1 Q13547 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CYP1A2 P05177 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL26328906 0.88 NAMPT (0.41) NAMPTKDM4AHDAC1L3MBTL1CYP1A2
SCHEMBL25497278 0.88 HDAC1 (0.47) NAMPTKDM4AHDAC1CYP1A2CA12
SCHEMBL26329031 0.87 DYRK1A (0.44) MAPTTDP1L3MBTL1ALDH1A1RAB9A
SCHEMBL25439945 0.87 NAMPT (0.41) MAPTTDP1NAMPTKDM4AHDAC1
SCHEMBL28975596 0.85 HDAC1 (0.46) NAMPTHDAC1L3MBTL1LMNAAKT1
SCHEMBL13977598 0.82 KDM4E (0.49) TDP1NAMPTKDM4AL3MBTL1CYP1A2
SCHEMBL15322811 0.81 NAMPT (0.50) MAPTTDP1NAMPTKDM4AHDAC1
SCHEMBL26328914 0.81 ADORA2A (0.39) NAMPTKDM4AHDAC1L3MBTL1CYP1A2
SCHEMBL25367309 0.80 NAMPT (0.47) MAPTTDP1NAMPTHDAC1L3MBTL1
SCHEMBL16628028 0.79 KDM4E (0.44) TDP1NAMPTKDM4AL3MBTL1CYP1A2

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-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 MAPT 1269/4885TDP1 1963/4885NAMPT 1678/4885

“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.