SCHEMBL20116940

SCHEMBL20116940

CC(C)n1ncc2ccc(-c3noc(C4CCNCC4(F)F)n3)cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.41
GRM5 P41594 3/20 0.38
PIK3CD O00329 1/20 0.37
KIT P10721 5/20 0.35
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
PLAT P00750 4/20 0.34
PTGER3 P43115 1/20 0.34

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
SCHEMBL22357930 0.84 NR1H4 (0.58) NR1H4GRM5PIK3CDKITTLR9
SCHEMBL22357924 0.82 NR1H4 (0.51) NR1H4GRM5PIK3CDTLR9TLR8
SCHEMBL20116695 0.81 GRM5 (0.35) NR1H4GRM5PIK3CDKITBRD4
SCHEMBL22358136 0.80 NR1H4 (0.44) NR1H4GRM5PIK3CDTLR9TLR8
SCHEMBL20117198 0.78 NPC1 (0.54) NR1H4GRM5PIK3CD
SCHEMBL22357935 0.77 PIK3CD (0.36) NR1H4GRM5PIK3CDKITBRD4
SCHEMBL22357941 0.76 NR1H4 (0.39) NR1H4GRM5KITTLR9TLR8
SCHEMBL22357943 0.76 NR1H4 (0.53) NR1H4GRM5KITTLR9TLR8
SCHEMBL22358473 0.76 NR1H4 (0.58) NR1H4KITTLR9TLR8TLR7
SCHEMBL20116409 0.76 GRM5 (0.43) NR1H4GRM5PIK3CDPTGER3

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 NR1H4 1341/4885GRM5 68/4885PIK3CD 3927/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 NR1H4 1341/4885GRM5 68/4885PIK3CD 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.