SCHEMBL20116239

SCHEMBL20116239

CC(C)n1ncc2ccc(-c3noc(N4C[C@H]5CN(C(=O)C(C)(C)C)C[C@H]5C4)n3)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.36
LMNA P02545 4/20 0.36
PTGER3 P43115 1/20 0.36
ACACB O00763 1/20 0.35
TP53 P04637 1/20 0.34
SCD5 Q86SK9 1/20 0.34
PIK3CD O00329 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
GRM5 P41594 3/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL20116656 0.89 S1PR1 (0.36) MAPTLMNAPTGER3ACACBTP53
SCHEMBL22358024 0.89 GPR119 (0.40) MAPTLMNANPC1HTT
SCHEMBL20116672 0.89 GPR119 (0.40) MAPTLMNANPC1HTT
SCHEMBL20116481 0.89 S1PR1 (0.36) MAPTLMNAPTGER3ACACBTP53
SCHEMBL20116477 0.88 MAPT (0.39) MAPTLMNAPTGER3ACACBTP53
SCHEMBL20676500 0.83 BRD4 (0.35) MAPTLMNAPTGER3ACACBTP53
SCHEMBL22358295 0.82 PIK3CD (0.38) MAPTLMNAPTGER3ACACBPIK3CD
SCHEMBL20116436 0.82 PIK3CD (0.38) MAPTLMNAPTGER3ACACBPIK3CD
SCHEMBL22358432 0.81 PIK3CD (0.34) MAPTLMNAPTGER3ACACBPIK3CD
SCHEMBL22357990 0.79 MAPT (0.46) MAPTLMNATP53SCD5NPC1

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 22/4885LMNA 1966/4885PTGER3 1760/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 MAPT 22/4885LMNA 1966/4885PTGER3 1760/4885

“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.