SCHEMBL20164463

SCHEMBL20164463

CNc1nc(NC[C@H](C)O)nc2c(NC)nc(NCC3CC3)nc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.37
CDK9 P50750 2/20 0.37
FLT3 P36888 4/20 0.37
BCDIN3D Q7Z5W3 2/20 0.36
CCNE1 P24864 3/20 0.35
CDK1 P06493 3/20 0.34
HRH4 Q9H3N8 1/20 0.34
IDH2 P48735 2/20 0.33
KDM4E B2RXH2 2/20 0.33
IDH1 O75874 1/20 0.33
CDK7 P50613 1/20 0.32
CDK5 Q00535 1/20 0.32
CCNA2 P20248 1/20 0.32
CCNA1 P78396 1/20 0.32
VCP P55072 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL20164464 1.00 CDK2 (0.37) CDK2CDK9FLT3BCDIN3DCCNE1
SCHEMBL20164481 1.00 CDK2 (0.37) CDK2CDK9FLT3BCDIN3DCCNE1
Hydrochloric Acid SCHEMBL20164433 0.99 CDK2 (0.36) CDK2CDK9FLT3BCDIN3DCCNE1
Hydrochloric Acid SCHEMBL20164740 0.99 CDK2 (0.36) CDK2CDK9FLT3BCDIN3DCCNE1
Hydrochloric Acid SCHEMBL20164435 0.99 CDK2 (0.36) CDK2CDK9FLT3BCDIN3DCCNE1
SCHEMBL16094309 0.87 HRH4 (0.40) BCDIN3DHRH4IDH2KDM4EIDH1
SCHEMBL20164687 0.86 CDK2 (0.38) CDK2CDK9BCDIN3DHRH4IDH2
SCHEMBL30560032 0.86 CDK2 (0.38) CDK2CDK9BCDIN3DHRH4IDH2
Hydrochloric Acid SCHEMBL20164747 0.85 CDK2 (0.38) CDK2CDK9BCDIN3DHRH4IDH2
Hydrochloric Acid SCHEMBL16093980 0.85 HRH4 (0.40) CDK2CDK9BCDIN3DHRH4IDH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141953-A1 Novel Breathing Control Modulating Compounds, and Methods of Making and Using Same NEURAD LTD. (IL) 2018-05-24 US claimed
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF NEURIM PHARMACEUTICALS (1991) LTD. (IL) 2025-02-20 US disclosed
EP-3316890-B1 NOVEL BREATHING CONTROL MODULATING COMPOUNDS, AND METHODS OF MAKING AND USING SAME NEURAD LTD (IL) 2023-09-06 EP disclosed
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-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
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 (3 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 CDK2 4026/4885CDK9 4092/4885FLT3 4814/4885
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF GPR119, GPR35, GPR55 CDK2 3942/4885CDK9 3728/4885FLT3 4608/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 CDK2 4190/4885CDK9 4292/4885FLT3 4789/4885

“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.