SCHEMBL20142969

SCHEMBL20142969

CCn1nc(Br)nc1Oc1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 2/20 0.41
HTR2A P28223 3/20 0.39
SLC6A4 P31645 3/20 0.39
KCNH2 Q12809 3/20 0.39
KDR P35968 1/20 0.39
SOS1 Q07889 2/20 0.37
EGFR P00533 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
APP P05067 1/20 0.36
PPARG P37231 2/20 0.34
DGAT1 O75907 1/20 0.34
AXL P30530 1/20 0.34
P2RX7 Q99572 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 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
SCHEMBL20143001 0.90 HTR2A (0.38) BRD9HTR2ASLC6A4KCNH2KDR
SCHEMBL20138713 0.86 SOS1 (0.41) HTR2ASLC6A4KCNH2KDRSOS1
SCHEMBL20142941 0.86 HTR2A (0.37) HTR2ASLC6A4KCNH2KDRSOS1
SCHEMBL20138686 0.86 SOS1 (0.36) HTR2ASLC6A4KCNH2KDRSOS1
SCHEMBL20142958 0.86 EGFR (0.38) HTR2ASLC6A4KCNH2KDRSOS1
SCHEMBL20142980 0.85 HTR2A (0.36) BRD9HTR2ASLC6A4KCNH2KDR
SCHEMBL20138791 0.85 KDR (0.41) BRD9HTR2ASLC6A4KCNH2KDR
SCHEMBL20154256 0.85 SOS1 (0.36) BRD9HTR2ASLC6A4KCNH2KDR
SCHEMBL20159359 0.85 BRD9 (0.41) BRD9HTR2ASLC6A4KCNH2KDR
SCHEMBL20138675 0.82 KDR (0.39) BRD9HTR2ASLC6A4KCNH2KDR

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 BRD9 2964/4885HTR2A 6/4885SLC6A4 1349/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 BRD9 3001/4885HTR2A 8/4885SLC6A4 1622/4885

“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.