SCHEMBL20116774

SCHEMBL20116774

CC(C)n1ncc2ccc(-c3noc(N4CCC5(CCO5)CC4)n3)cc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.37
GAA P10253 1/20 0.37
PIK3CD O00329 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 3/20 0.35
CDK8 P49336 1/20 0.32
CDK19 Q9BWU1 1/20 0.32
ALOX5AP P20292 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
TP53 P04637 1/20 0.32
PTGER3 P43115 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL20116242 0.84 PIK3CD (0.34) PIK3CDCDK8CDK19BRD4CREBBP
SCHEMBL20116871 0.83 MAPT (0.41) MAPTGAAPIK3CDTHRBLMNA
SCHEMBL20116249 0.82 MAPT (0.36) MAPTGAAPIK3CDTHRBLMNA
SCHEMBL20117045 0.81 MAPT (0.44) MAPTGAAPIK3CDTHRBLMNA
SCHEMBL20117183 0.81 MAPT (0.40) MAPTGAAPIK3CDTHRBLMNA
SCHEMBL20116472 0.80 CYP2C9 (0.42) MAPTGAALMNANPC1HTT
SCHEMBL20116036 0.79 MAPT (0.42) MAPTGAAPIK3CDLMNAALOX5AP
SCHEMBL20676639 0.79 MAPT (0.37) MAPTGAAPIK3CDTHRBLMNA
SCHEMBL20117111 0.79 MAPT (0.35) MAPTGAAPIK3CDTHRBLMNA
SCHEMBL20116724 0.78 MAPT (0.45) MAPTGAATHRBLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 MAPT 22/4885GAA 67/4885PIK3CD 3927/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 MAPT 22/4885GAA 67/4885PIK3CD 3927/4885

“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.