SCHEMBL20164596

SCHEMBL20164596

OCCNc1nc(Cl)nc2c(NCc3ccccc3)nc(Cl)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.56
PDE5A O76074 1/20 0.56
CDK1 P06493 6/20 0.53
KDM4E B2RXH2 3/20 0.51
CDK2 P24941 2/20 0.51
CDK5 Q00535 2/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
ALOX15 P16050 2/20 0.51
CCNB2 O95067 1/20 0.51
CCNE2 O96020 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
CCNB1 P14635 1/20 0.51
NFKB1 P19838 1/20 0.51
CCNA2 P20248 1/20 0.51
CCNE1 P24864 1/20 0.51

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
SCHEMBL7939004 0.89 APP (0.68) APPPDE5ACDK1KDM4EALDH1A1
SCHEMBL20164615 0.80 BCHE (0.58) APPCDK1KDM4ECDK2CDK5
Hydrochloric Acid SCHEMBL20164600 0.79 CDK1 (0.57) APPCDK1KDM4ECDK2CDK5
SCHEMBL20164511 0.79 CDK1 (0.53) APPPDE5ACDK1CDK2CDK5
SCHEMBL20164652 0.76 SLC29A1 (0.44) KDM4EMAPK1ALDH1A1MAPTCYP1A2
SCHEMBL7973136 0.76 CCNE2 (0.58) APPPDE5ACDK1KDM4ECDK2
SCHEMBL16257620 0.75 POLB (0.51) CDK1KDM4ECDK2CDK5MAPK1
SCHEMBL8851040 0.75 CDK1 (0.55) APPPDE5ACDK1MAPK1CCNB2
SCHEMBL20164638 0.74 SLC29A1 (0.54) KDM4EMAPK1MAPTPOLB
SCHEMBL20164431 0.74 SLC29A1 (0.46) KDM4EMAPK1MAPTPOLB

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 APP 2716/4885PDE5A 10/4885CDK1 3077/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 APP 2394/4885PDE5A 14/4885CDK1 3444/4885

“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.