SCHEMBL29607100

SCHEMBL29607100

CN(CCOc1ccc(C=O)cc1Cl)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
LMNA P02545 2/20 0.40
FDPS P14324 1/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL29607348 0.87 KDM4E (0.44) PDK2ALDH1A1HPGDMAPTCYP2C19
SCHEMBL29606344 0.86 FDPS (0.52) PDK2ALDH1A1HPGDMAPTCYP2C19
SCHEMBL29607734 0.86 FDPS (0.59) ALDH1A1HPGDMAPTCYP2C19CYP1A2
SCHEMBL29606343 0.86 PDK2 (0.46) PDK2ALDH1A1HPGDMAPTCYP2C19
SCHEMBL21601484 0.85 MAPK1 (0.51) PDK2ALDH1A1HPGDMAPTCYP2C19
SCHEMBL21601488 0.84 KDM4E (0.55) PDK2ALDH1A1HPGDMAPTCYP2C19
SCHEMBL16585199 0.83 KDM4E (0.58) PDK2ALDH1A1HPGDMAPTLMNA
SCHEMBL4015052 0.83 PDK2 (0.43) PDK2ALDH1A1HPGDMAPTCYP2C19
SCHEMBL14273335 0.81 FDPS (0.51) ALDH1A1HPGDMAPTCYP2C19CYP1A2
SCHEMBL14262633 0.80 PDK2 (0.51) PDK2ALDH1A1HPGDMAPTLMNA

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
US-12281119-B2 Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as TLR7 agonist BEIGENE, LTD. (KY) 2025-04-22 US disclosed
EP-3921320-B1 IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEIGENE LTD (KY) 2024-03-06 EP disclosed
US-20220119394-A1 IMIDAZO[2,1-F][1,2,4]TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST BEONE MEDICINES I GMBH (CH) 2022-04-21 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-20220119394-A1 IMIDAZO[2,1-F][1,2,4]TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST TLR7, TLR1, TLR3 PDK2 3792/4885ALDH1A1 1611/4885HPGD 4530/4885
US-12281119-B2 Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as TLR7 agonist TLR7, TLR1, TLR3 PDK2 3792/4885ALDH1A1 1611/4885HPGD 4530/4885

“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.