SCHEMBL20138675

SCHEMBL20138675

[2H]C([2H])([2H])n1nc(Br)nc1Oc1ccc(F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.39
SOS1 Q07889 3/20 0.37
HTR2A P28223 3/20 0.36
SLC6A4 P31645 3/20 0.36
KCNH2 Q12809 3/20 0.36
EGFR P00533 2/20 0.36
APP P05067 1/20 0.36
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 2/20 0.32
CHEK2 O96017 1/20 0.32
AXL P30530 1/20 0.32
LMNA P02545 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
P2RX7 Q99572 1/20 0.31
GRM4 Q14833 1/20 0.31

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
SCHEMBL20138791 0.91 KDR (0.41) KDRSOS1HTR2ASLC6A4KCNH2
SCHEMBL20142969 0.82 BRD9 (0.41) KDRSOS1HTR2ASLC6A4KCNH2
SCHEMBL20142980 0.81 HTR2A (0.36) KDRSOS1HTR2ASLC6A4KCNH2
SCHEMBL20138774 0.81 KDR (0.36) KDRSOS1HTR2ASLC6A4KCNH2
SCHEMBL20139093 0.81 EPAS1 (0.38)
SCHEMBL20138797 0.80 KDR (0.39) KDRSOS1HTR2ASLC6A4KCNH2
SCHEMBL20143001 0.78 HTR2A (0.38) KDRSOS1HTR2ASLC6A4KCNH2
SCHEMBL23902547 0.77 SOS1 (0.37) KDRSOS1HTR2ASLC6A4KCNH2
SCHEMBL20142941 0.77 HTR2A (0.37) KDRSOS1HTR2ASLC6A4KCNH2
SCHEMBL20138713 0.77 SOS1 (0.41) KDRSOS1HTR2ASLC6A4KCNH2

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 6 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-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-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

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 KDR 1133/4885SOS1 799/4885HTR2A 6/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 KDR 1130/4885SOS1 839/4885HTR2A 8/4885

“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.