SCHEMBL20962575

SCHEMBL20962575

Nc1cncn(CCO)c1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
SYK P43405 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TDO2 P48775 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
TK1 P04183 1/20 0.31
FSCN1 Q16658 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
Hydrochloric Acid SCHEMBL20945083 0.98 LMNA (0.37) LMNAADORA2BADORA2AADORA1SYK
SCHEMBL20962589 0.81 SMN1; SMN2 (0.39) LMNAADORA2BADORA2AADORA1PDE4A
Hydrochloric Acid SCHEMBL20945236 0.80 SMN1; SMN2 (0.38) LMNAADORA2BADORA2AADORA1PDE4A
SCHEMBL20962586 0.77 PDE4A (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL20962568 0.77 GABRA5 (0.37) ADORA2BADORA2AADORA1PDE4APDE4B
SCHEMBL5487137 0.76 TRPA1 (0.40) LMNARAB9A
SCHEMBL5369228 0.76
SCHEMBL20962587 0.76 KDM4E (0.40) SMN1; SMN2
SCHEMBL20962581 0.76 KDM4E (0.37) LMNAADORA1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28275944 0.76 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3478671-B1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN LA ROCHE (CH) 2020-05-13 EP disclosed
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-03-24 US disclosed
US-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-05-02 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-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS ABCG2, PIR, PRNP LMNA 1072/4885ADORA2B 675/4885ADORA2A 436/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP LMNA 1072/4885ADORA2B 675/4885ADORA2A 436/4885

“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.