SCHEMBL23869649

SCHEMBL23869649

Cc1nnc(-c2nccc(C(=O)O)n2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
KDM5A P29375 2/20 0.45
KDM3A Q9Y4C1 2/20 0.45
JMJD1C Q15652 1/20 0.45
ALDH1A1 P00352 3/20 0.42
KDM4A O75164 2/20 0.42
KDM5C P41229 2/20 0.42
KDM5B Q9UGL1 2/20 0.42
KDM6B O15054 1/20 0.42
TET3 O43151 1/20 0.42
BBOX1 O75936 1/20 0.42
MAPT P10636 1/20 0.42
ASPH Q12797 1/20 0.42
KDM4D Q6B0I6 1/20 0.42
TET2 Q6N021 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
KDM7A Q6ZMT4 1/20 0.42
KDM8 Q8N371 1/20 0.42
TET1 Q8NFU7 1/20 0.42
EGLN2 Q96KS0 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
SCHEMBL1505808 0.85 KDM4E (0.57) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL1578942 0.77 KDM4E (0.53) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL34461785 0.76 XDH (0.56) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL27801110 0.76 KDM4E (0.52) KDM4EKDM5AKDM3AJMJD1CALDH1A1
Ammonia Solution, Strong SCHEMBL27766041 0.76 KDM4E (0.52) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL27700143 0.73 XDH (0.50) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL696116 0.73 XDH (0.50) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL27680966 0.72 XDH (0.46) KDM4EKDM5AKDM3AJMJD1CALDH1A1
Hydrochloric Acid SCHEMBL7968706 0.71 XDH (0.49) KDM4EKDM5AKDM3AJMJD1CALDH1A1
SCHEMBL6325352 0.71 KDM4E (0.55) KDM4EKDM5AKDM3AJMJD1CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3788032-B1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY TAGWORKS PHARMACEUTICALS B V (NL) 2024-01-24 EP disclosed
US-20210308207-A1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-10-07 US disclosed
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 (2 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 KDM4E 3967/4885KDM5A 2351/4885KDM3A 4076/4885
US-20210308207-A1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY VIP, PIN1, QPCT KDM4E 4319/4885KDM5A 4345/4885KDM3A 4497/4885

“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.