SCHEMBL20164745

SCHEMBL20164745

CN(C)c1nc(NCC(F)(F)F)c2ncnc(NCCO)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC29A1 Q99808 8/20 0.39
SYK P43405 1/20 0.35
AURKB Q96GD4 1/20 0.35
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KHK P50053 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
BRAF P15056 1/20 0.31
RAB9A P51151 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
Hydrochloric Acid SCHEMBL20164671 0.99 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2SLC29A1SYKAURKB
SCHEMBL20164445 0.85 SLC29A1 (0.55) ALDH1A1SMN1; SMN2SLC29A1CYP3A4KDM4E
Hydrochloric Acid SCHEMBL20164699 0.84 SLC29A1 (0.53) ALDH1A1SMN1; SMN2SLC29A1CYP3A4KDM4E
SCHEMBL20164368 0.83 SLC29A1 (0.40) ALDH1A1SMN1; SMN2SLC29A1CYP3A4KDM4E
SCHEMBL20164750 0.82 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2SLC29A1SYKCYP3A4
Hydrochloric Acid SCHEMBL20164524 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2SLC29A1SYKCYP3A4
Hydrochloric Acid SCHEMBL20164751 0.81 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2SLC29A1CYP3A4KDM4E
SCHEMBL20164356 0.80 KHK (0.49) ALDH1A1SMN1; SMN2SLC29A1KHK
Hydrochloric Acid SCHEMBL20164580 0.79 KHK (0.48) ALDH1A1SMN1; SMN2SLC29A1KHK
SCHEMBL20164646 0.79 SLC29A1 (0.44) ALDH1A1SMN1; SMN2SLC29A1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 ALDH1A1 2164/4885SMN1; SMN2 463/4885SLC29A1 4472/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 ALDH1A1 2004/4885SMN1; SMN2 454/4885SLC29A1 4518/4885

“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.