SCHEMBL22358136

SCHEMBL22358136

CC(C)n1ncc2ccc(-c3noc(C4CNC4)n3)cc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.44
GRM5 P41594 5/20 0.42
TLR9 Q9NR96 3/20 0.41
TLR8 Q9NR97 3/20 0.41
TLR7 Q9NYK1 3/20 0.41
PTGER3 P43115 1/20 0.40
PIK3CD O00329 1/20 0.40
HTR4 Q13639 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
CNR2 P34972 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL22357924 0.92 NR1H4 (0.51) NR1H4GRM5TLR9TLR8TLR7
SCHEMBL22357930 0.89 NR1H4 (0.58) NR1H4GRM5TLR9TLR8TLR7
SCHEMBL20117198 0.87 NPC1 (0.54) NR1H4GRM5PIK3CDHTR4NPC1
SCHEMBL20116507 0.85 NR1H4 (0.45) NR1H4GRM5PTGER3PIK3CDHTR4
SCHEMBL20116409 0.85 GRM5 (0.43) NR1H4GRM5PTGER3PIK3CDHTR4
SCHEMBL20116846 0.85 NR1H4 (0.45) NR1H4GRM5PTGER3PIK3CDHTR4
SCHEMBL20116434 0.85 GRM5 (0.43) NR1H4GRM5PTGER3PIK3CDHTR4
SCHEMBL20116749 0.81 NR1H4 (0.45) NR1H4GRM5PTGER3HTR4NPC1
SCHEMBL22358295 0.81 PIK3CD (0.38) GRM5PTGER3PIK3CDBRD4CREBBP
SCHEMBL20116436 0.81 PIK3CD (0.38) GRM5PTGER3PIK3CDBRD4CREBBP

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 3 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

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 68/4885TLR9 4108/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 NR1H4 1341/4885GRM5 68/4885TLR9 4108/4885

“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.