SCHEMBL20138713

SCHEMBL20138713

COCCn1nc(Br)nc1Oc1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 4/20 0.41
HTR2A P28223 2/20 0.37
SLC6A4 P31645 2/20 0.37
KCNH2 Q12809 2/20 0.37
KDR P35968 1/20 0.37
DGAT1 O75907 1/20 0.35
PPARG P37231 2/20 0.35
EGFR P00533 2/20 0.34
AXL P30530 1/20 0.34
APP P05067 1/20 0.34
HIF1A Q16665 1/20 0.34
GRM2 Q14416 2/20 0.33
TGFBR1 P36897 1/20 0.33
TGFBR2 P37173 1/20 0.33
PLA2G7 Q13093 1/20 0.33
P2RX7 Q99572 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
SCHEMBL20143001 0.89 HTR2A (0.38) SOS1HTR2ASLC6A4KCNH2KDR
SCHEMBL20142958 0.88 EGFR (0.38) SOS1HTR2ASLC6A4KCNH2KDR
SCHEMBL20142969 0.86 BRD9 (0.41) SOS1HTR2ASLC6A4KCNH2KDR
SCHEMBL20142941 0.83 HTR2A (0.37) SOS1HTR2ASLC6A4KCNH2KDR
SCHEMBL20138686 0.83 SOS1 (0.36) SOS1HTR2ASLC6A4KCNH2KDR
SCHEMBL20142980 0.82 HTR2A (0.36) SOS1HTR2ASLC6A4KCNH2KDR
SCHEMBL20138791 0.82 KDR (0.41) SOS1HTR2ASLC6A4KCNH2KDR
SCHEMBL20154256 0.82 SOS1 (0.36) SOS1HTR2ASLC6A4KCNH2KDR
SCHEMBL20138671 0.82 EPAS1 (0.36) PPARG
SCHEMBL20142946 0.78 RAF1 (0.36) SOS1HTR2ASLC6A4KCNH2KDR

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 SOS1 799/4885HTR2A 6/4885SLC6A4 1349/4885
US-11319314-B2 Phenoxytriazoles HTT, APP, PSEN1 SOS1 839/4885HTR2A 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.