SCHEMBL20107965

SCHEMBL20107965

C[C@H](Oc1cc(Br)c(F)cc1C#N)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.37
AR P10275 5/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
NOS2 P35228 1/20 0.34
SLC6A9 P48067 4/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KCNH2 Q12809 1/20 0.32

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
SCHEMBL29512855 1.00 DHODH (0.37) DHODHARS1PR1S1PR3S1PR5
SCHEMBL21463047 1.00 DHODH (0.37) DHODHARS1PR1S1PR3S1PR5
SCHEMBL20107645 0.90 AR (0.35) DHODHARCYP2D6SLC6A2SLC6A4
SCHEMBL29816586 0.90 AR (0.35) DHODHARCYP2D6SLC6A2SLC6A4
SCHEMBL27175735 0.87 DHODH (0.35) DHODH
SCHEMBL31134779 0.84 CYP11B1 (0.42) ARCYP2D6SLC6A2SLC6A4NOS2
SCHEMBL20108194 0.81 AAK1 (0.40) ARS1PR1S1PR3S1PR5CYP2D6
SCHEMBL29512830 0.81 AAK1 (0.40) ARS1PR1S1PR3S1PR5CYP2D6
SCHEMBL28696334 0.81 AAK1 (0.40) ARS1PR1S1PR3S1PR5CYP2D6
SCHEMBL1797074 0.78 AAK1 (0.45) ARS1PR1S1PR3S1PR5SLC6A9

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12486248-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH BAYER AKTIENGESELLSCHAFT (DE) 2025-12-02 US disclosed
US-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2024-05-16 US disclosed
EP-3532474-B1 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AG (DE) 2024-03-27 EP disclosed
EP-4041714-B1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-13 EP 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-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-11787797-B2 4,5-annulated 1,2,4-triazolones BAYER AKTIENGESELLSCHAFT (DE) 2023-10-17 US disclosed
US-11787797-B2 4,5-annulated 1,2,4-triazolones BAYER AKTIENGESELLSCHAFT (DE) 2023-10-17 US disclosed
US-11787797-B2 4,5-annulated 1,2,4-triazolones BAYER AKTIENGESELLSCHAFT (DE) 2023-10-17 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
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-2019197269-A1 COMBINATIONS OF COPANLISIB WITH TRIAZOLONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 WO disclosed
WO-2019197269-A1 COMBINATIONS OF COPANLISIB WITH TRIAZOLONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER BAYER AKTIENGESELLSCHAFT (DE) 2019-10-17 WO disclosed
EP-3553052-A1 5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL DERIVATIVES FOR THE TREATMENT OF CANCER Bayer AG (DE) 2019-10-16 EP disclosed
EP-3553052-A1 5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL DERIVATIVES FOR THE TREATMENT OF CANCER Bayer AG (DE) 2019-10-16 EP disclosed
US-20190307728-A1 METHODS OF TREATMENT WITH A 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONE Bayer Pharma AG (DE) 2019-10-10 US disclosed
US-20190307728-A1 METHODS OF TREATMENT WITH A 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONE Bayer Pharma AG (DE) 2019-10-10 US disclosed
WO-2018077944-A2 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 WO 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 (6 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-20200123129-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DPYD, DHPS DHODH 1/4885AR 3879/4885S1PR1 2306/4885
US-20190307728-A1 METHODS OF TREATMENT WITH A 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONE IDH3A, IDH3B, IDH2 DHODH 161/4885AR 2359/4885S1PR1 3832/4885
US-12486248-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH DHODH, DHPS, DPYD DHODH 1/4885AR 3937/4885S1PR1 2448/4885
US-11787797-B2 4,5-annulated 1,2,4-triazolones CCNA1, CCNT1, CCND2 DHODH 1551/4885AR 2167/4885S1PR1 1717/4885
US-20240158414-A1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD DHODH 1/4885AR 2165/4885S1PR1 2703/4885
US-20230365524-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DHPS, DPYD DHODH 1/4885AR 3937/4885S1PR1 2448/4885

“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.