SCHEMBL20164752

SCHEMBL20164752

CCNc1nc(Cl)nc2c(NCC)nc(N)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TLR8 Q9NR97 3/20 0.39
NLRP3 Q96P20 5/20 0.37
PDE10A Q9Y233 1/20 0.36
ADORA3 P0DMS8 3/20 0.36
ADORA1 P30542 2/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
CDK9 P50750 1/20 0.35
RAB9A P51151 1/20 0.35
CDK5 Q00535 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CDK5R1 Q15078 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL30560040 1.00 LMNA (0.44) LMNATLR8NLRP3PDE10AADORA3
SCHEMBL30560037 1.00 LMNA (0.44) LMNATLR8NLRP3PDE10AADORA3
SCHEMBL16094623 0.88 LMNA (0.54) LMNAPDE10AADORA3ADORA1PGK1
SCHEMBL17494542 0.79 LMNA (0.61) LMNAADORA3ADORA1PGK1
SCHEMBL20164680 0.79 YTHDC1 (0.50)
SCHEMBL30560039 0.79 YTHDC1 (0.50)
SCHEMBL7930938 0.75 LMNA (0.41) LMNAADORA3ADORA1KDM4EPGK1
SCHEMBL30560020 0.74 KMT2A (0.49) LMNA
SCHEMBL20164572 0.74 KMT2A (0.49) LMNA
SCHEMBL20164617 0.74 SLC29A1 (0.47) LMNATLR8ADORA3ADORA1SMN1; SMN2

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
EP-3316890-B1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF MAKING AND USING SAME NEURAD LTD (IL) 2023-09-06 EP disclosed
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same NEURAD LTD. (IL) 2019-05-21 US disclosed
US-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same NEURAD LTD. (IL) 2018-05-24 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-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same MTNR1B, CHRM3, PER2 LMNA 1394/4885TLR8 4422/4885NLRP3 4506/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 LMNA 1200/4885TLR8 4449/4885NLRP3 4460/4885

“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.