SCHEMBL22494487

SCHEMBL22494487

Nc1nnc(C(CCCCOC2CCCCO2)c2ccc(F)c(F)c2F)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
KDM4C Q9H3R0 1/20 0.33
P2RX3 P56373 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL21326191 0.78 MEN1 (0.35) MEN1KMT2AL3MBTL1KDM4C
SCHEMBL22494473 0.73 MEN1 (0.43) MEN1KMT2AL3MBTL1KDM4CP2RX3
SCHEMBL22494465 0.72 MEN1 (0.43) MEN1KMT2AL3MBTL1P2RX3NPC1
SCHEMBL2251919 0.69 L3MBTL1 (0.36) MEN1KMT2AL3MBTL1KDM4CP2RX3
SCHEMBL21374325 0.67 KDM4C (0.41) MEN1KMT2AL3MBTL1KDM4CP2RX3
SCHEMBL21195192 0.67 L3MBTL1 (0.37) MEN1KMT2AL3MBTL1KDM4CP2RX3
SCHEMBL10653072 0.65 IDO1 (0.32) L3MBTL1
SCHEMBL6000386 0.65 MEN1 (0.48) MEN1KMT2AL3MBTL1KDM4CNPC1
SCHEMBL9308148 0.64 MEN1 (0.43) MEN1KMT2AL3MBTL1KDM4CNPC1
SCHEMBL30492846 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315745-B Triazolo-aza derivatives 豪夫迈·罗氏有限公司 2023-07-14 CN disclosed
EP-3728262-B1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-03-15 EP disclosed
US-11440915-B2 Triazolo-azepine derivatives HOFFMANN-LA ROCHE INC. (US) 2022-09-13 US disclosed
EP-3728262-A1 TRIAZOLO-AZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-10-28 EP disclosed
US-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
CN-111315745-A Triazolo-aza derivatives 豪夫迈·罗氏有限公司 2020-06-19 CN 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-20200317681-A1 TRIAZOLO-AZEPINE DERIVATIVES HUWE1, APP, PSEN1 MEN1 998/4885KMT2A 2045/4885L3MBTL1 1319/4885
US-11440915-B2 Triazolo-azepine derivatives HUWE1, PSEN1, UPF1 MEN1 868/4885KMT2A 1856/4885L3MBTL1 1175/4885

“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.