SCHEMBL20164322

SCHEMBL20164322

CNc1nc(NCC(C)(C)O)nc2c(NC)nc(NCC(F)F)nc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 4/20 0.35
CCNE1 P24864 3/20 0.34
CDK2 P24941 3/20 0.34
CDK5 Q00535 3/20 0.34
CDK7 P50613 2/20 0.34
CCNH P51946 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
LRRK2 Q5S007 1/20 0.31
SLC29A1 Q99808 1/20 0.31
IDH1 O75874 1/20 0.30
BCDIN3D Q7Z5W3 1/20 0.30

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
Hydrochloric Acid SCHEMBL20164554 0.99 IDH2 (0.34) IDH2CCNE1CDK2CDK5CDK7
SCHEMBL20164609 0.86 LRRK2 (0.33) IDH2CCNE1CDK2CDK5CDK7
SCHEMBL20164348 0.85 IDH2 (0.40) IDH2CCNE1CDK2CDK5CDK7
Hydrochloric Acid SCHEMBL20164690 0.84 LRRK2 (0.32) IDH2CCNE1CDK2CDK5CDK7
Hydrochloric Acid SCHEMBL20164526 0.83 IDH2 (0.39) IDH2CCNE1CDK2CDK5CDK7
SCHEMBL20164430 0.82 SLC29A1 (0.43) IDH2CCNE1CDK2CDK5CDK7
SCHEMBL20164311 0.82 SLC29A1 (0.35) IDH2CCNE1CDK2CDK5CDK7
Hydrochloric Acid SCHEMBL20164603 0.81 SLC29A1 (0.42) IDH2CCNE1CDK2CDK5CDK7
Hydrochloric Acid SCHEMBL20164324 0.81 SLC29A1 (0.35) IDH2CCNE1CDK2CDK5CDK7
SCHEMBL20164573 0.79 YTHDC1 (0.40) IDH2CCNE1CDK2CDK5CDK7

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 IDH2 1873/4885CCNE1 4167/4885CDK2 4026/4885
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF GPR119, GPR35, GPR55 IDH2 3645/4885CCNE1 2993/4885CDK2 3942/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 IDH2 1674/4885CCNE1 4321/4885CDK2 4190/4885

“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.