SCHEMBL22286135

SCHEMBL22286135

CCn1nc(C)c(C(=O)OCC(=O)c2ccc(F)cc2)c1N

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MAPK1 P28482 1/20 0.50
LMNA P02545 4/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.45
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL20551835 0.84 HPGD (0.47) KMT2AMAPK1LMNAMEN1HPGD
SCHEMBL22286151 0.84 MAPK1 (0.47) KMT2AMAPK1LMNAMEN1HPGD
SCHEMBL22286153 0.84 MAPK1 (0.53) KMT2AMAPK1LMNAMEN1HPGD
SCHEMBL22286193 0.83 MAPK1 (0.55) KMT2AMAPK1LMNAMEN1HPGD
SCHEMBL22286173 0.80 MAPK1 (0.49) KMT2AMAPK1LMNAMEN1HPGD
SCHEMBL20551372 0.79 MAPK1 (0.51) KMT2AMAPK1LMNAMEN1HPGD
SCHEMBL22286203 0.79 MAPK1 (0.53) KMT2AMAPK1LMNAMEN1HPGD
SCHEMBL20551486 0.79 MAPK1 (0.45) KMT2AMAPK1LMNAMEN1HPGD
SCHEMBL20551541 0.78 MAPK1 (0.45) KMT2AMAPK1LMNAMEN1HPGD
SCHEMBL18704090 0.78 MAPK1 (0.66) KMT2AMAPK1LMNAMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 CN 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 KMT2A 3820/4885MAPK1 943/4885LMNA 3874/4885

“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.