SCHEMBL18005647

SCHEMBL18005647

CCCCCCCCCCCCCCCOc1cc(C)nc(N2CCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ TSHR P16473 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL18005401 0.84 TSHR (0.51) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL18029912 0.77 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL18029842 0.76 HTR1A (0.40) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL18005335 0.76 HTR1A (0.40) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL19890949 0.76 MAPT (0.48) ALDH1A1MEN1KMT2AATMTSHR
SCHEMBL18005321 0.76 TSHR (0.55) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL19890921 0.74 KDM4E (0.44) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL18005222 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AATMTSHR
SCHEMBL18005314 0.73 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AATMKDM4E
SCHEMBL18005303 0.73 MAPT (0.46) POLBMAPT

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 ALDH1A1 176/4885MEN1 97/4885KMT2A 4565/4885
US-10364227-B2 Therapeutic compounds SDHA, CYP11B1, CYP11B2 ALDH1A1 176/4885MEN1 97/4885KMT2A 4565/4885

“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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