SCHEMBL20116477

SCHEMBL20116477

COC(=O)N1C[C@H]2CN(c3nc(-c4ccc5cnn(C(C)C)c5c4)no3)C[C@@H]2C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
LMNA P02545 3/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
ACACB O00763 1/20 0.38
PTGER3 P43115 1/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL22358024 0.91 GPR119 (0.40) MAPTLMNANPC1HTT
SCHEMBL20116672 0.91 GPR119 (0.40) MAPTLMNANPC1HTT
SCHEMBL22358259 0.88 MAPT (0.51) MAPTLMNANPC1HTTTP53
SCHEMBL20116239 0.88 MAPT (0.36) MAPTLMNANPC1HTTACACB
SCHEMBL20116656 0.85 S1PR1 (0.36) MAPTLMNANPC1HTTACACB
SCHEMBL20116481 0.85 S1PR1 (0.36) MAPTLMNANPC1HTTACACB
SCHEMBL20117195 0.84 CYP3A4 (0.46) MAPTLMNANPC1HTTTP53
SCHEMBL20676500 0.83 BRD4 (0.35) MAPTLMNAACACBPTGER3TP53
SCHEMBL22358295 0.82 PIK3CD (0.38) MAPTLMNAACACBPTGER3
SCHEMBL20116436 0.82 PIK3CD (0.38) MAPTLMNAACACBPTGER3

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 1966/4885NPC1 72/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 MAPT 22/4885LMNA 1966/4885NPC1 72/4885

“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.