SCHEMBL20522700

SCHEMBL20522700

O=C(O)c1cc(Oc2ccncn2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.46
BRAF P15056 1/20 0.44
MAPK14 Q16539 1/20 0.44
TNNI3K Q59H18 1/20 0.44
KMO O15229 1/20 0.40
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
PYGL P06737 4/20 0.39
PYGM P11217 4/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
GCK P35557 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL12484107 0.83 KMO (0.52) KDRBRAFMAPK14TNNI3KKMO
SCHEMBL20523025 0.82 DHODH (0.47) ADRB1ADRB3PYGLPYGMCYP4F2
SCHEMBL8460102 0.80 KDR (0.41) KDRBRAFMAPK14TNNI3KKMO
SCHEMBL20523130 0.77 MAP3K5 (0.48) ADRB1ADRB3CYP4F2CYP4A11KDM4E
SCHEMBL4548784 0.76 KDR (0.67) KDRBRAFMAPK14TNNI3K
SCHEMBL20522745 0.76 DHODH (0.42) MAPK14KDM4E
SCHEMBL18575400 0.74 KDR (0.44) KDRBRAFMAPK14TNNI3KKDM4E
SCHEMBL27660846 0.74 MAP4K4 (0.41) KDRBRAFMAPK14TNNI3KKDM4E
SCHEMBL27445864 0.74 KDR (0.41) KDRBRAFMAPK14TNNI3KKMO
SCHEMBL20522821 0.73 ADRB1 (0.57) ADRB1ADRB3

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
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds PHARMAKEA, INC. (US) 2022-05-31 US disclosed
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds PHARMAKEA, INC. (US) 2022-05-31 US disclosed
US-20200048218-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS PHARMAKEA, INC. 2020-02-13 US disclosed
US-20200048218-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS PHARMAKEA, INC. 2020-02-13 US disclosed
EP-3601250-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS Pharmakea, Inc. (US) 2020-02-05 EP disclosed
WO-2018183122-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2018-10-04 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-20200048218-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS BAX, BAD, BCL2 KDR 2849/4885BRAF 211/4885MAPK14 150/4885
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds BAX, BAD, BCL2 KDR 2849/4885BRAF 211/4885MAPK14 150/4885

“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.