SCHEMBL22299535

SCHEMBL22299535

CCCCC(CC)c1ccnc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
PDE4D Q08499 3/20 0.39
AAK1 Q2M2I8 1/20 0.36
NR1I2 O75469 1/20 0.35
KCNB1 Q14721 1/20 0.35
IDO1 P14902 1/20 0.34
FFAR1 O14842 2/20 0.34
ROCK2 O75116 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
CYP17A1 P05093 1/20 0.31
CRHR1 P34998 1/20 0.31

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
SCHEMBL19003475 0.91 LOX (0.41) LOXLOXL2PDE4DAAK1KCNB1
SCHEMBL20259848 0.91 LOX (0.44) LOXLOXL2PDE4DAAK1KCNB1
SCHEMBL19866339 0.88 LOX (0.41) LOXLOXL2PDE4DAAK1NR1I2
SCHEMBL20705814 0.88 LOX (0.41) LOXLOXL2PDE4DAAK1NR1I2
SCHEMBL18707542 0.87 LOX (0.49) LOXLOXL2AAK1KCNB1IDO1
SCHEMBL3040111 0.81 NR1I2 (0.39) PDE4DNR1I2PSEN1PSEN2APH1B
SCHEMBL22299306 0.79 LOX (0.41) LOXLOXL2PDE4DAAK1KCNB1
SCHEMBL22363297 0.76 LOX (0.45) LOXLOXL2PDE4DAAK1KCNB1
SCHEMBL805096 0.76 LOX (0.47) LOXLOXL2AAK1KCNB1IDO1
SCHEMBL5974098 0.75 NR1I2 (0.47) NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2020-08-06 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-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF MAPK1, MAPK11, MAPK14 LOX 2138/4885LOXL2 2570/4885PDE4D 2686/4885

“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.