SCHEMBL20485754

SCHEMBL20485754

COc1ccc(-c2cncn2CC(C)C)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.46
PDE4B Q07343 1/20 0.44
APP P05067 2/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATP1A1 P05023 1/20 0.41
ATP1B1 P05026 1/20 0.41
ATP1A3 P13637 1/20 0.41
ATP1B2 P14415 1/20 0.41
ATP1A2 P50993 1/20 0.41
ATP1B3 P54709 1/20 0.41
FXYD2 P54710 1/20 0.41
ATP1A4 Q13733 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
SRC P12931 1/20 0.41
QPCT Q16769 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CYP11B1 P15538 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
SCHEMBL10988081 0.81 CYP11B1 (0.58) ALDH1A1HSP90AA1HSP90AB1SRCQPCT
SCHEMBL20485827 0.76 APP (0.52) FYNPDE4BAPPALDH1A1SMN1; SMN2
SCHEMBL10989241 0.75 IDO1 (0.45) ALDH1A1SMN1; SMN2HSP90AA1HSP90AB1CYP11B1
SCHEMBL1501932 0.73 IDO1 (0.50) FYNHSP90AA1HSP90AB1CYP11B1CYP11B2
SCHEMBL15435450 0.73 CYP11B1 (0.52) FYNALDH1A1CYP11B1CYP11B2
SCHEMBL1502376 0.73 CYP11B1 (0.46) ALDH1A1HSP90AA1HSP90AB1KDM4ECYP11B1
SCHEMBL1502220 0.69 CYP11B1 (0.47) PDE4BAPPCYP11B1CYP11B2
SCHEMBL13531373 0.67 NPC1 (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTCYP11B1
SCHEMBL30050405 0.66 ALDH1A1 (0.52) FYNALDH1A1SMN1; SMN2ATP1A1ATP1B1
SCHEMBL30132180 0.65 ALDH1A1 (0.58) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10688093-B2 Methods, compositions, and uses of novel Fyn kinase inhibitors Pathways Neuro Pharma, Inc. 2020-06-23 US disclosed
US-20180250297-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors Pathways Neuro Pharma, Inc. 2018-09-06 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 (2 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-20180250297-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors FYN, LCK, PTK2B FYN 1/4885PDE4B 997/4885APP 1940/4885
US-10688093-B2 Methods, compositions, and uses of novel Fyn kinase inhibitors FYN, LCK, PTK2B FYN 1/4885PDE4B 997/4885APP 1940/4885

“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.