SCHEMBL20164423

SCHEMBL20164423

C=C(C)CNc1nc(NCC)c2nc(Cl)nc(NCC)c2n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
SLC29A1 Q99808 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
ADORA1 P30542 2/20 0.37
CDK1 P06493 1/20 0.34
GAA P10253 1/20 0.33
KMT2A Q03164 2/20 0.33
PDE4A P27815 1/20 0.33
MAPT P10636 1/20 0.33
PGK1 P00558 2/20 0.33
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 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
SCHEMBL30560023 1.00 LMNA (0.44) LMNASLC29A1ADORA3ADORA1CDK1
SCHEMBL20164730 0.86 YTHDC1 (0.41) LMNASLC29A1CDK1KMT2ACYP1A2
SCHEMBL30560030 0.86 YTHDC1 (0.41) LMNASLC29A1CDK1KMT2ACYP1A2
SCHEMBL30560033 0.86 YTHDC1 (0.41) LMNASLC29A1CDK1KMT2ACYP1A2
SCHEMBL17494542 0.85 LMNA (0.61) LMNASLC29A1ADORA3ADORA1GAA
SCHEMBL16094623 0.80 LMNA (0.54) LMNAADORA3ADORA1KMT2AMAPT
SCHEMBL30560020 0.80 KMT2A (0.49) LMNASLC29A1KMT2AMAPTCYP1A2
SCHEMBL20164572 0.80 KMT2A (0.49) LMNASLC29A1KMT2AMAPTCYP1A2
SCHEMBL20164318 0.79 CDK2 (0.38) SLC29A1CDK1GAAHTT
SCHEMBL20164317 0.79 CDK2 (0.38) SLC29A1CDK1GAAHTT

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 LMNA 1394/4885SLC29A1 4472/4885ADORA3 274/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 LMNA 1200/4885SLC29A1 4518/4885ADORA3 323/4885

“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.