SCHEMBL20164460

SCHEMBL20164460

CNc1nc(N(C)C2CC2)nc2c(NC)nc(NC[C@H](C)O)nc12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.35
FLT3 P36888 4/20 0.35
CCNE1 P24864 3/20 0.35
SLC29A1 Q99808 3/20 0.34
JAK2 O60674 2/20 0.34
JAK3 P52333 2/20 0.34
CDK1 P06493 3/20 0.32
CDK9 P50750 2/20 0.32
CDK7 P50613 1/20 0.32
CDK5 Q00535 1/20 0.32
IDH2 P48735 1/20 0.31
WHR1 P49842 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
SCHEMBL20164480 1.00 CDK2 (0.35) CDK2FLT3CCNE1SLC29A1JAK2
Hydrochloric Acid SCHEMBL20164432 0.99 FLT3 (0.34) CDK2FLT3CCNE1SLC29A1JAK2
Hydrochloric Acid SCHEMBL20164738 0.99 FLT3 (0.34) CDK2FLT3CCNE1SLC29A1JAK2
SCHEMBL20164686 0.89 JAK2 (0.31) JAK2JAK3
Hydrochloric Acid SCHEMBL20164746 0.88 JAK2 (0.30) JAK2JAK3
SCHEMBL20164565 0.84 SLC29A1 (0.45) SLC29A1CDK1
Hydrochloric Acid SCHEMBL20164306 0.82 SLC29A1 (0.44) SLC29A1CDK1
SCHEMBL20164463 0.79 CDK2 (0.37) CDK2FLT3CCNE1CDK1CDK9
SCHEMBL20164481 0.79 CDK2 (0.37) CDK2FLT3CCNE1CDK1CDK9
SCHEMBL20164464 0.79 CDK2 (0.37) CDK2FLT3CCNE1CDK1CDK9

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 5 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
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 (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 4026/4885FLT3 4814/4885CCNE1 4167/4885
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF GPR119, GPR35, GPR55 CDK2 3942/4885FLT3 4608/4885CCNE1 2993/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 CDK2 4190/4885FLT3 4789/4885CCNE1 4321/4885

“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.