SCHEMBL20164539

SCHEMBL20164539

CCCNc1nc(Cl)nc2c(NCC(O)C(F)(F)F)nc(Cl)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.38
KMT2A Q03164 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
PKM P14618 1/20 0.33
GAA P10253 1/20 0.33
CDK2 P24941 1/20 0.31
CDK9 P50750 1/20 0.31
IRAK1 P51617 1/20 0.31
HDAC1 Q13547 3/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31
NCOR2 Q9Y618 1/20 0.31

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
SCHEMBL20164620 0.84 SLC29A1 (0.40) SLC29A1KMT2ATLR7PKMHDAC1
SCHEMBL20164586 0.83 SLC29A1 (0.41) SLC29A1TLR7PKMCDK2CDK9
SCHEMBL20164505 0.82 SLC29A1 (0.41) SLC29A1KMT2AHDAC1HDAC2HDAC3
SCHEMBL20164488 0.82 SLC29A1 (0.41) SLC29A1KMT2AHDAC1HDAC2HDAC3
SCHEMBL20164537 0.82 SLC29A1 (0.41) SLC29A1KMT2AHDAC1HDAC2HDAC3
Hydrochloric Acid SCHEMBL20164547 0.82 SLC29A1 (0.40) SLC29A1TLR7PKMCDK2CDK9
SCHEMBL16094375 0.80 SLC29A1 (0.47) SLC29A1KMT2ATLR7PKMHDAC1
SCHEMBL20164589 0.77 CDK2 (0.37) GAACDK2CDK9
SCHEMBL20164638 0.76 SLC29A1 (0.54) SLC29A1KMT2AHDAC1HDAC2HDAC3
SCHEMBL20164658 0.74 SLC29A1 (0.39) SLC29A1KMT2AHDAC1HDAC2HDAC3

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 SLC29A1 4472/4885KMT2A 2456/4885TLR7 4569/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885KMT2A 2528/4885TLR7 4584/4885

“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.