SCHEMBL18005390

SCHEMBL18005390

CCCCCCCCCCCCCCCOc1nc(N(C)C)nc(C)c1Br

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CDK1 P06493 2/20 0.35
CCNB1 P14635 2/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
THRA P10827 5/20 0.32
THRB P10828 5/20 0.32
NR5A1 Q13285 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.32
DNM2 P50570 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL18029910 1.00 MEN1 (0.36) MEN1KMT2ACDK1CCNB1FAAH
SCHEMBL18005282 0.82 NR5A1 (0.38) CDK1CCNB1FAAHMGLLCCNA2
SCHEMBL12352015 0.73 LMNA (0.37) THRATHRBALDH1A1NPSR1
SCHEMBL18005222 0.70 ALDH1A1 (0.44) MEN1KMT2ATHRATHRBTDP1
SCHEMBL12352000 0.70 THRA (0.34) MEN1KMT2ATHRATHRBNR5A1
SCHEMBL12351970 0.67 THRA (0.32) MEN1KMT2ATHRATHRBALDH1A1
SCHEMBL13531400 0.65 CDK1 (0.43) MEN1KMT2ACDK1CCNB1FAAH
SCHEMBL19207399 0.65 THRA (0.42) CDK1CCNB1FAAHMGLLCCNA2
SCHEMBL13096382 0.65 CDK1 (0.40) CDK1CCNB1FAAHMGLLCCNA2
SCHEMBL20458743 0.64 KCNH2 (0.34) MEN1KMT2ATHRBDNM2ALDH1A1

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 14 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-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-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
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-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
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
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 4565/4885CDK1 1527/4885
US-10364227-B2 Therapeutic compounds SDHA, CYP11B1, CYP11B2 MEN1 97/4885KMT2A 4565/4885CDK1 1527/4885

“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.