SCHEMBL18005407

SCHEMBL18005407

Cc1nc(N(C)C)nc(OC2CCCC2)c1Br

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TLR9 Q9NR96 4/20 0.34
▸ TLR7 Q9NYK1 4/20 0.34
▸ LRRK2 Q5S007 3/20 0.34
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19900305 0.76 LRRK2 (0.36) LRRK2
SCHEMBL29732895 0.70 ALDH1A1 (0.36) MEN1KMT2ALRRK2
SCHEMBL19900326 0.70 ALDH1A1 (0.36) MEN1KMT2ALRRK2
SCHEMBL8388467 0.67 LRRK2 (0.36) LRRK2THRB
SCHEMBL18005388 0.67 TLR9 (0.40) TLR9TLR7LRRK2
SCHEMBL24439695 0.65 LRRK2 (0.40) LRRK2
SCHEMBL18005390 0.64 MEN1 (0.36) MEN1KMT2ATHRB
SCHEMBL18029910 0.64 MEN1 (0.36) MEN1KMT2ATHRB
SCHEMBL18029840 0.64 ALOX5AP (0.41) TLR9TLR7LRRK2
SCHEMBL8995823 0.63 LMNA (0.42) LMNACYP1A2THRBBLMCREBBP

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
EP-3719006-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING DEUTERATED AND UNDEUTERATED 2-AMINO-PYRIMIDIN-5-OL DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES (E.G. OBESITY) UNIV ARIZONA STATE (US) 2022-04-06 — — EP disclosed
EP-3719006-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DEUTERATED AND UNDEUTERATED 2-AMINO-PYRIMIDIN-5-OL DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES (E.G. OBESITY) Arizona Board of Regents on behalf of Arizona State University (US) 2020-10-07 — — EP disclosed
EP-3259254-B1 DEUTERATED AND UNDEUTERATED 2-AMINO-PYRIMIDIN-5-OL DERIVATIVES FOR TREATING MITOCHONDRIAL DISEASES (E.G. OBESITY) UNIV ARIZONA STATE (US) 2020-07-01 — — EP disclosed
US-10364227-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-07-30 — — US disclosed
US-20180319751-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-11-08 — — US disclosed
WO-2016133959-A9 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-02-22 — — WO disclosed
EP-3259254-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents on behalf of Arizona State University (US) 2017-12-27 — — EP disclosed
WO-2016133959-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2016-08-25 — — WO 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-20180319751-A1 THERAPEUTIC COMPOUNDS SDHA, CYP11B1, CYP11B2 MEN1 97/4885KMT2A 4565/4885TLR9 4801/4885
US-10364227-B2 Therapeutic compounds SDHA, CYP11B1, CYP11B2 MEN1 97/4885KMT2A 4565/4885TLR9 4801/4885

“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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