SCHEMBL20164418

SCHEMBL20164418

CN(C)c1nc(NCc2ncccn2)c2ncnc(NCC(C)(C)O)c2n1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
CCNE1 P24864 3/20 0.33
CDK2 P24941 3/20 0.33
CDK5 Q00535 3/20 0.33
EGFR P00533 2/20 0.33
PRUNE1 Q86TP1 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CHRM4 P08173 3/20 0.31
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 1/20 0.31
KHK P50053 2/20 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
Hydrochloric Acid SCHEMBL20164708 0.99 KCNH2 (0.34) KCNH2CCNE1CDK2CDK5EGFR
SCHEMBL20164493 0.86 CDK1 (0.43) CDK2EGFRPRUNE1CTNNB1TCF7L2
Hydrochloric Acid SCHEMBL20164490 0.85 CDK1 (0.42) CDK2EGFRPRUNE1CTNNB1TCF7L2
SCHEMBL20164646 0.83 SLC29A1 (0.44) CHRM4KHK
Hydrochloric Acid SCHEMBL20164760 0.82 SLC29A1 (0.43) CHRM4KHK
SCHEMBL20164612 0.81 SLC29A1 (0.34)
Hydrochloric Acid SCHEMBL20164691 0.80 SLC29A1 (0.33)
SCHEMBL20164337 0.80 KHK (0.46) KHK
Hydrochloric Acid SCHEMBL20164662 0.79 KHK (0.45) KHK
SCHEMBL20164718 0.76 CDK2 (0.37) CCNE1CDK2CDK5CCNT1CDK7

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 KCNH2 638/4885CCNE1 4167/4885CDK2 4026/4885
US-20250057848-A1 GAL475 COMPOSITIONS AND METHODS OF USE THEREOF GPR119, GPR35, GPR55 KCNH2 3213/4885CCNE1 2993/4885CDK2 3942/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 KCNH2 847/4885CCNE1 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.