SCHEMBL30196133

SCHEMBL30196133

COc1ccc(-c2cccnc2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
MAPK1 P28482 1/20 0.70
HSD17B10 Q99714 1/20 0.70
MKNK1 Q9BUB5 1/20 0.68
MKNK2 Q9HBH9 1/20 0.68
NPC1 O15118 3/20 0.67
RAB9A P51151 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MAPT P10636 2/20 0.65
NPY5R Q15761 1/20 0.65
CYP11B2 P19099 4/20 0.62
CYP19A1 P11511 3/20 0.62
CYP11B1 P15538 3/20 0.62
CYP17A1 P05093 2/20 0.61
TLR8 Q9NR97 2/20 0.61
TLR7 Q9NYK1 2/20 0.61
KIT P10721 1/20 0.60
PDGFRB P09619 1/20 0.59
PDGFRA P16234 1/20 0.59
FYN P06241 1/20 0.56

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
SCHEMBL11342031 1.00 KDM4E (0.70) KDM4EMAPK1HSD17B10MKNK1MKNK2
Hydrochloric Acid SCHEMBL11336399 0.98 KDM4E (0.68) KDM4EMAPK1HSD17B10MKNK1MKNK2
SCHEMBL4030646 0.86 S1PR1 (0.67) KDM4EMAPK1HSD17B10MKNK1MKNK2
SCHEMBL1911847 0.86 NPC1 (0.65) KDM4EMAPK1HSD17B10MKNK1MKNK2
SCHEMBL26947690 0.85 CTSD (0.57) KDM4EMAPK1HSD17B10MKNK1MKNK2
SCHEMBL30402923 0.85 CTSD (0.57) KDM4EMAPK1HSD17B10MKNK1MKNK2
SCHEMBL10208603 0.85 MKNK1 (0.59) KDM4EMAPK1HSD17B10MKNK1MKNK2
SCHEMBL4454661 0.85 CYP11B2 (0.66) KDM4EMAPK1HSD17B10MKNK1MKNK2
SCHEMBL519862 0.85 HSD17B10 (0.65) KDM4EMAPK1HSD17B10MKNK1MKNK2
SCHEMBL10654961 0.85 MKNK1 (0.59) KDM4EMAPK1HSD17B10MKNK1MKNK2

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-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PFIZER INC. (US) 2023-01-24 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-11559538-B2 Substituted 1,2-oxaborolan-2-ols as PDE4 inhibitors PDE4B, PDE4A, PDE3B KDM4E 406/4885MAPK1 379/4885HSD17B10 365/4885

“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.