SCHEMBL20164700

SCHEMBL20164700

COCCNc1nc(Cl)nc2c(NCCO)nc(Cl)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
SLC29A1 Q99808 2/20 0.43
ADORA3 P0DMS8 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
SYK P43405 1/20 0.35
TNF P01375 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL20164431 0.81 SLC29A1 (0.46) HTTSLC29A1KMT2AKDM4EMAPK1
SCHEMBL20164638 0.81 SLC29A1 (0.54) HTTSLC29A1KMT2AKDM4EMAPK1
SCHEMBL20164652 0.80 SLC29A1 (0.44) HTTSLC29A1KMT2AKDM4EALDH1A1
SCHEMBL20164567 0.79 SLC29A1 (0.53) HTTSLC29A1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL20164521 0.78 SLC29A1 (0.51) HTTSLC29A1KMT2AKDM4EALDH1A1
SCHEMBL20164636 0.77 SLC29A1 (0.43) HTTSLC29A1KMT2AKDM4EALDH1A1
SCHEMBL20164352 0.74 HTT (0.40) HTTSLC29A1KMT2AKDM4EMAPK1
SCHEMBL20164550 0.74 HTT (0.40) HTTSLC29A1KMT2AKDM4EALDH1A1
SCHEMBL24175687 0.72 HTT (0.54) HTTSLC29A1KMT2AKDM4EALDH1A1
SCHEMBL20164645 0.72 SLC29A1 (0.51) HTTSLC29A1KMT2AKDM4ESMN1; SMN2

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 4 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
CN-107708701-A Novel respiratory control modulating compounds and methods of making and using the same 纽拉德有限公司 2018-02-16 CN 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 HTT 1972/4885SLC29A1 4472/4885ADORA3 274/4885
US-10294228-B2 Breathing control modulating compounds, and methods of making and using same MTNR1B, PDE3A, CHRM3 HTT 1791/4885SLC29A1 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.