SCHEMBL20138699

SCHEMBL20138699

Fc1c(Cl)cccc1Oc1nc(Br)nn1CC(F)F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.32
EGFR P00533 2/20 0.32
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
HTR7 P34969 2/20 0.32
HTR6 P50406 2/20 0.32
GCK P35557 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
KCNH2 Q12809 1/20 0.31
GPR142 Q7Z601 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL20138857 0.90 HTT (0.35) CYP3A4CYP2C9KCNH2MEN1KMT2A
SCHEMBL20138680 0.85 EGFR (0.34) EGFRHTR1ADRD2HTR2AHTR7
SCHEMBL20159986 0.84 EGFR (0.33) EGFRGCKCYP3A4CYP2D6CYP2C9
SCHEMBL20138851 0.79 GCK (0.36) EGFRHTR1ADRD2HTR2AHTR7
SCHEMBL20138712 0.79 HTR1A (0.36) GNRHREGFRHTR1ADRD2HTR2A
SCHEMBL20159244 0.78 CYP1A2 (0.36) HTR2ACYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL20138853 0.77 HTT (0.42) HTR2ACYP3A4CYP2C9MEN1KMT2A
SCHEMBL20138686 0.75 SOS1 (0.36) EGFRHTR2AKCNH2
SCHEMBL20139202 0.73 ALDH1A1 (0.35) CYP3A4CYP2D6CYP2C9KCNH2KMT2A
SCHEMBL20138854 0.72 KDM4E (0.38) CYP3A4CYP2C9KDM4EMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790149-B Phenoxytriazoles 豪夫迈·罗氏有限公司 2022-05-17 CN disclosed
US-11319314-B2 Phenoxytriazoles HOFFMANN-LA ROCHE INC. (US) 2022-05-03 US disclosed
US-11319314-B2 Phenoxytriazoles HOFFMANN-LA ROCHE INC. (US) 2022-05-03 US disclosed
US-20210309653-A1 PHENOXYTRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
US-20210309653-A1 PHENOXYTRIAZOLES HOFFMANN-LA ROCHE INC. (US) 2021-10-07 US disclosed
EP-3538516-B1 PHENOXYTRIAZOLES HOFFMANN LA ROCHE (CH) 2021-06-16 EP disclosed
EP-3538516-B1 PHENOXYTRIAZOLES HOFFMANN LA ROCHE (CH) 2021-06-16 EP disclosed
EP-3538516-A1 PHENOXYTRIAZOLES F. Hoffmann-La Roche AG (CH) 2019-09-18 EP disclosed
WO-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 WO disclosed
WO-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 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-20210309653-A1 PHENOXYTRIAZOLES HTT, PSEN1, APP GNRHR 4532/4885EGFR 2978/4885HTR1A 13/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 GNRHR 4201/4885EGFR 2744/4885HTR1A 12/4885

“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.