SCHEMBL22557790

SCHEMBL22557790

c1ccc(-c2cn(Cc3ccc(-c4nnn[nH]4)cn3)nn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
KDR P35968 5/20 0.47
EPHB4 P54760 3/20 0.46
TEK Q02763 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GSK3B P49841 4/20 0.42
ROCK2 O75116 4/20 0.42
CDK2 P24941 4/20 0.42
PIM1 P11309 3/20 0.42
PRKACA P17612 3/20 0.42
AURKA O14965 2/20 0.42
CHUK O15111 2/20 0.42
MAPK13 O15264 2/20 0.42
DAPK3 O43293 2/20 0.42
JAK2 O60674 2/20 0.42
CHEK2 O96017 2/20 0.42
PRKCG P05129 2/20 0.42
CDK1 P06493 2/20 0.42
FGFR1 P11362 2/20 0.42

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
SCHEMBL24216054 0.74 HDAC6 (0.67) CYP19A1KDR
SCHEMBL29398947 0.74 HDAC6 (0.67) CYP19A1KDR
SCHEMBL22557657 0.73 CYP19A1 (0.68) CYP19A1KDREPHB4TEKNPC1
SCHEMBL15425744 0.73 CYP19A1 (0.64) CYP19A1KDREPHB4TEKNPC1
SCHEMBL27926367 0.68 NR1H2 (0.42) NPC1RAB9AMAPK1MEN1KMT2A
SCHEMBL15836586 0.68 CYP19A1 (0.93) CYP19A1KDREPHB4TEKNPC1
SCHEMBL935182 0.68 CYP19A1 (1.00) CYP19A1KDREPHB4TEKNPC1
SCHEMBL6505461 0.67 NR1H2 (0.41) NPC1RAB9AGSK3BMAPK13FGFR1
SCHEMBL4950 0.67 NR1H2 (0.43) NPC1RAB9AMAPK1MEN1KMT2A
SCHEMBL2317632 0.66 NPC1 (0.53) NPC1RAB9AMAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269739-B 1,3, 4-Diazole derivatives as histone deacetylase inhibitors 奎马特里克斯公司 2025-04-22 CN disclosed
EP-3956324-B1 1,3,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS QUIMATRYX S L (ES) 2024-02-21 EP disclosed
US-20220213084-A1 1,3,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS FUNDACIÓN KERTOR (ES) 2022-07-07 US disclosed
CN-114269739-A 1,3,4- Oxadiazole derivatives as histone deacetylase inhibitors 奎马特里克斯公司 2022-04-01 CN disclosed
EP-3956324-A1 1,3,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS QUIMATRYX, S.L. (ES) 2022-02-23 EP disclosed
WO-2020212479-A1 1,3,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS QUIMATRYX, S.L. (ES) 2020-10-22 WO disclosed
WO-2020212479-A1 1,3,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS QUIMATRYX, S.L. (ES) 2020-10-22 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 (1 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-20220213084-A1 1,3,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC6, HDAC1, HDAC3 CYP19A1 2858/4885KDR 4138/4885EPHB4 4791/4885

“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.