SCHEMBL20164643

SCHEMBL20164643

CCCNc1nc(NC)nc2c(N[C@@H](C)CO)nc(NC)nc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 5/20 0.46
CXCR2 P25025 5/20 0.38
CCR7 P32248 5/20 0.36
CDK1 P06493 5/20 0.34
CDK5 Q00535 3/20 0.34
KDR P35968 3/20 0.33
CDK2 P24941 3/20 0.33
CDK7 P50613 3/20 0.33
CDK9 P50750 3/20 0.33
CA2 P00918 2/20 0.33
CDK4 P11802 2/20 0.33
CCNT1 O60563 2/20 0.33
CCNH P51946 2/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 2/20 0.33
CCNB1 P14635 1/20 0.33
ATM Q13315 1/20 0.33
CDK5R1 Q15078 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
SCHEMBL20164456 1.00 SLC29A1 (0.46) SLC29A1CXCR2CCR7CDK1CDK5
SCHEMBL20164453 1.00 SLC29A1 (0.46) SLC29A1CXCR2CCR7CDK1CDK5
Hydrochloric Acid SCHEMBL20164608 0.99 SLC29A1 (0.44) SLC29A1CXCR2CCR7CDK1CDK5
Hydrochloric Acid SCHEMBL20164330 0.99 SLC29A1 (0.44) SLC29A1CXCR2CCR7CDK1CDK5
Hydrochloric Acid SCHEMBL20164328 0.99 SLC29A1 (0.44) SLC29A1CXCR2CCR7CDK1CDK5
SCHEMBL20179368 0.83 SLC29A1 (0.46) SLC29A1
SCHEMBL20164704 0.83 SLC29A1 (0.42) SLC29A1CDK1CDK5KDRCDK2
SCHEMBL16094312 0.83 SLC29A1 (0.51) SLC29A1
Hydrochloric Acid SCHEMBL20164655 0.82 SLC29A1 (0.41) SLC29A1CDK1CDK5KDRCDK2
SCHEMBL20164443 0.82 SLC29A1 (0.66) SLC29A1CDK1ATM

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 SLC29A1 4472/4885CXCR2 3708/4885CCR7 4566/4885
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF GPR119, GPR35, GPR55 SLC29A1 2077/4885CXCR2 4738/4885CCR7 4102/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 SLC29A1 4518/4885CXCR2 4207/4885CCR7 4619/4885

“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.