SCHEMBL20159209

SCHEMBL20159209

CC(C)n1nc(Br)nc1Oc1ccccc1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
S1PR1 P21453 4/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
KCNH2 Q12809 1/20 0.32
GPR142 Q7Z601 1/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
SCN9A Q15858 4/20 0.32
RPS6KA2 Q15349 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TRPA1 O75762 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
SCHEMBL28738646 0.86 RPS6KA2 (0.32) HSD11B1DPP4DPP7SCN9ARPS6KA2
SCHEMBL28738622 0.85 SLC6A2 (0.32) PDE1APDE1BPDE1CRPS6KA2
SCHEMBL20142975 0.82 MAPT (0.39) PDE1APDE1BPDE1CMRGPRX1
SCHEMBL28738619 0.81
SCHEMBL20138669 0.81 HTR2A (0.41) KCNH2PDE2ASCN9APOLB
SCHEMBL6914242 0.80 HTT (0.39) PDE1APDE1BPDE1CCYP2C9KCNH2
SCHEMBL20140248 0.80 F10 (0.38) CYP2D6CYP2C9KCNH2GPR142SCN9A
SCHEMBL20159583 0.79 PDE2A (0.37) PDE2A
SCHEMBL20138679 0.79 AR (0.32) HSD11B1S1PR1PDE2ATRPA1
SCHEMBL20138697 0.79 ESR1 (0.36) HSD11B1PDE1APDE1BPDE1C

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 8 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
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 HSD11B1 56/4885DPP4 4620/4885DPP7 3137/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 HSD11B1 59/4885DPP4 4503/4885DPP7 2960/4885

“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.