SCHEMBL22151003

SCHEMBL22151003

CCOc1cc2nn(CC)cc2cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ FBP1 P09467 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 4/20 0.38
▸ NTSR1 P30989 1/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ NOTUM Q6P988 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
SCHEMBL24816160 0.86 MAPT (0.50) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL19029863 0.84 IRAK4 (0.43) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL11835695 0.75 MAPT (0.53) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL25189536 0.74 MAPT (0.48) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL29290889 0.72 MAPT (0.43) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL25188728 0.72 MAPT (0.46) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL22151076 0.71 NPC1 (0.44) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL10702301 0.71 MAPT (0.51) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL25189804 0.71 MAPT (0.45) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL18896263 0.71 MAPT (0.66) MEN1KMT2AMAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111465603-B Triazolopyridines as gamma secretase modulators 勃林格殷格翰国际有限公司 2024-01-09 — — CN disclosed
US-11339161-B2 Triazolo pyridines as modulators of gamma-secretase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-24 — — US disclosed
US-11339161-B2 Triazolo pyridines as modulators of gamma-secretase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-24 — — US disclosed
EP-3672971-B1 TRIAZOLO PYRIDINES AS MODULATORS OF GAMMA-SECRETASE BOEHRINGER INGELHEIM INT (DE) 2021-07-14 — — EP disclosed
US-20210017173-A1 TRIAZOLO PYRIDINES AS MODULATORS OF GAMMA-SECRETASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-21 — — US disclosed
US-20210017173-A1 TRIAZOLO PYRIDINES AS MODULATORS OF GAMMA-SECRETASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-01-21 — — US disclosed
CN-111465603-A Triazolopyridines as gamma-secretase modulators 勃林格殷格翰国际有限公司 2020-07-28 — — CN disclosed
EP-3672971-A1 TRIAZOLO PYRIDINES AS MODULATORS OF GAMMA-SECRETASE Boehringer Ingelheim International GmbH (DE) 2020-07-01 — — EP 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-20210017173-A1 TRIAZOLO PYRIDINES AS MODULATORS OF GAMMA-SECRETASE BACE1, BACE2, APP MEN1 3692/4885KMT2A 2843/4885MAPT 34/4885
US-11339161-B2 Triazolo pyridines as modulators of gamma-secretase BACE1, BACE2, APP MEN1 3692/4885KMT2A 2843/4885MAPT 34/4885

“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.

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