SCHEMBL20107645

SCHEMBL20107645

CC(Oc1cc(Br)c(F)cc1C#N)C(C)(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.35
CYP2D6 P10635 4/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
NOS2 P35228 4/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
TRPA1 O75762 1/20 0.32
DHODH Q02127 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
TRPV4 Q9HBA0 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
SCHEMBL29816586 1.00 AR (0.35) ARCYP2D6SLC6A2SLC6A4NOS2
SCHEMBL29512855 0.90 DHODH (0.37) ARCYP2D6SLC6A2SLC6A4NOS2
SCHEMBL20107965 0.90 DHODH (0.37) ARCYP2D6SLC6A2SLC6A4NOS2
SCHEMBL21463047 0.90 DHODH (0.37) ARCYP2D6SLC6A2SLC6A4NOS2
SCHEMBL31134779 0.83 CYP11B1 (0.42) ARCYP2D6SLC6A2SLC6A4NOS2
SCHEMBL27175735 0.77 DHODH (0.35) DHODHAAK1
SCHEMBL20107665 0.76 CYP2D6 (0.38) ARCYP2D6SLC6A2SLC6A4NOS2
SCHEMBL29816769 0.76 CYP2D6 (0.38) ARCYP2D6SLC6A2SLC6A4NOS2
SCHEMBL28823361 0.76 CYP2D6 (0.38) ARCYP2D6SLC6A2SLC6A4NOS2
SCHEMBL23862114 0.75 AAK1 (0.37) ARAAK1TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365524-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2023-11-16 US disclosed
US-20230365524-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2023-11-16 US disclosed
US-11713304-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH BAYER AKTIENGESELLSCHAFT (DE) 2023-08-01 US disclosed
US-11713304-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH BAYER AKTIENGESELLSCHAFT (DE) 2023-08-01 US disclosed
CN-115557907-A 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2023-01-03 CN disclosed
CN-110023302-B 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2022-07-26 CN disclosed
US-20220135536-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2022-05-05 US disclosed
EP-3532468-B1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AG (DE) 2022-03-23 EP disclosed
US-20210188805-A9 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2021-06-24 US disclosed
US-20200377472-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2020-12-03 US disclosed
US-10815215-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH BAYER AKTIENGESELLSCHAFT (DE) 2020-10-27 US disclosed
US-20200123129-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2020-04-23 US disclosed
WO-2018077923-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 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 (7 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-11713304-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH DHODH, DHPS, DPYD AR 3937/4885CYP2D6 230/4885SLC6A2 4575/4885
US-20200123129-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DPYD, DHPS AR 3879/4885CYP2D6 239/4885SLC6A2 4570/4885
US-20210188805-A9 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DPYD, DHPS AR 3879/4885CYP2D6 239/4885SLC6A2 4570/4885
US-20200377472-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DPYD, DHPS AR 3879/4885CYP2D6 239/4885SLC6A2 4570/4885
US-20220135536-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DHPS, DPYD AR 3937/4885CYP2D6 230/4885SLC6A2 4575/4885
US-10815215-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH DHODH, DPYD, DHPS AR 3879/4885CYP2D6 239/4885SLC6A2 4570/4885
US-20230365524-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DHPS, DPYD AR 3937/4885CYP2D6 230/4885SLC6A2 4575/4885

“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.