SCHEMBL19961012

SCHEMBL19961012

CCOC(=O)/C=C\c1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.67
FDPS P14324 1/20 0.64
MCL1 Q07820 1/20 0.57
BACE1 P56817 2/20 0.56
PKM P14618 1/20 0.56
TTR P02766 1/20 0.54
DPP4 P27487 1/20 0.54
ACHE P22303 4/20 0.53
BCHE P06276 3/20 0.53
RAB9A P51151 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
NFE2L2 Q16236 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL6987445 1.00 MAOB (0.67) MAOBFDPSMCL1BACE1PKM
SCHEMBL6987448 1.00 MAOB (0.67) MAOBFDPSMCL1BACE1PKM
SCHEMBL6980423 0.90 FDPS (0.64) MAOBFDPSMCL1BACE1PKM
SCHEMBL6980418 0.90 FDPS (0.64) MAOBFDPSMCL1BACE1PKM
SCHEMBL30268639 0.89 MAOB (0.55) MAOBFDPSMCL1BACE1PKM
SCHEMBL10080272 0.87 EPHX2 (0.63) MAOBFDPSMCL1BACE1PKM
SCHEMBL6985126 0.86 TTR (0.58) MAOBFDPSMCL1BACE1PKM
SCHEMBL6985121 0.86 TTR (0.58) MAOBFDPSMCL1BACE1PKM
SCHEMBL3492139 0.85 MAOB (0.56) MAOBFDPSMCL1PKMGAA
SCHEMBL6986048 0.85 MAOB (0.56) MAOBFDPSMCL1PKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107973791-B Fused or tricyclic aryl pyrimidine compounds as kinase inhibitors 南京圣和药业股份有限公司 2020-04-07 CN disclosed
CN-107614503-B Fused or tricyclic aryl pyrimidine compounds as kinase inhibitors 广东众生药业股份有限公司 2020-03-10 CN disclosed
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 US disclosed
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 US 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-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor EGFR, ERBB2, ERBB4 MAOB 2035/4885FDPS 967/4885MCL1 1563/4885

“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.