SCHEMBL18005485

SCHEMBL18005485

CCCCCCCCCCCCCc1cc(OC2CCC2)nc(N(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.35
KCNH2 Q12809 1/20 0.35
TLR9 Q9NR96 3/20 0.32
TLR7 Q9NYK1 3/20 0.32
LRRK2 Q5S007 1/20 0.32
JAK3 P52333 1/20 0.32
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
S1PR1 P21453 1/20 0.31
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL20550106 1.00 SPHK1 (0.35) SPHK1KCNH2TLR9TLR7LRRK2
SCHEMBL18005398 1.00 SPHK1 (0.35) SPHK1KCNH2TLR9TLR7LRRK2
SCHEMBL18029922 1.00 SPHK1 (0.35) SPHK1KCNH2TLR9TLR7LRRK2
SCHEMBL18029843 1.00 SPHK1 (0.35) SPHK1KCNH2TLR9TLR7LRRK2
SCHEMBL18029911 0.97 SPHK1 (0.35) SPHK1KCNH2TLR9TLR7LRRK2
SCHEMBL18005365 0.97 SPHK1 (0.35) SPHK1KCNH2TLR9TLR7LRRK2
SCHEMBL19900149 0.84 KCNH2 (0.38) KCNH2LRRK2CDK1CDK2PDGFRB
SCHEMBL19899798 0.84 KCNH2 (0.38) KCNH2LRRK2CDK1CDK2PDGFRB
SCHEMBL2236575 0.80 KCNH2 (0.41) KCNH2
SCHEMBL2236133 0.80 KCNH2 (0.41) KCNH2

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 SPHK1 826/4885KCNH2 931/4885TLR9 4801/4885
US-10364227-B2 Therapeutic compounds SDHA, CYP11B1, CYP11B2 SPHK1 826/4885KCNH2 931/4885TLR9 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.