SCHEMBL20138797

SCHEMBL20138797

CC(C)n1nc(Br)nc1Oc1ccc(F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.39
SOS1 Q07889 2/20 0.37
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
KCNH2 Q12809 2/20 0.36
EGFR P00533 2/20 0.36
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
APP P05067 1/20 0.36
P2RX7 Q99572 2/20 0.34
PGR P06401 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20142954 0.88 MAP4K4 (0.35) KDRSOS1HTR2ASLC6A4EGFR
SCHEMBL20154260 0.86 LMNA (0.39) HTR2ASLC6A4KCNH2PSEN1PSEN2
SCHEMBL20138774 0.85 KDR (0.36) KDRSOS1HTR2ASLC6A4KCNH2
SCHEMBL20142991 0.84 MAPT (0.37) HTR2ASLC6A4PSEN1PSEN2APH1B
SCHEMBL20138791 0.83 KDR (0.41) KDRSOS1HTR2ASLC6A4KCNH2
SCHEMBL20159274 0.82 HTR2A (0.37) KDRHTR2ASLC6A4KCNH2PSEN1
SCHEMBL20138690 0.82 PSEN1 (0.51) EGFRPSEN1PSEN2APH1BNCSTN
SCHEMBL20142941 0.81 HTR2A (0.37) KDRSOS1HTR2ASLC6A4KCNH2
SCHEMBL20159329 0.81 PLA2G7 (0.40) PPARG
SCHEMBL29623386 0.81 PLA2G7 (0.40) PPARG

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-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 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.