SCHEMBL19684546

SCHEMBL19684546

Cc1nc(N)c2c(F)cn(C)c2n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.41
ADORA1 P30542 3/20 0.37
ADORA2A P29274 2/20 0.37
EIF2AK3 Q9NZJ5 2/20 0.34
DHFR P00374 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MET P08581 1/20 0.32
AXL P30530 1/20 0.32
ADORA2B P29275 1/20 0.30
GRM1 Q13255 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
SCHEMBL29331633 0.84 DHFR (0.42) EIF2AK3DHFR
SCHEMBL19684526 0.81
SCHEMBL23042852 0.79 ADORA2A (0.37) DYRK1AADORA1ADORA2AEIF2AK3TLR7
SCHEMBL784185 0.78 DYRK1A (0.39) DYRK1AADORA1ADORA2ADHFRTLR7
SCHEMBL19678821 0.78 SRC (0.37) DYRK1AADORA1ADORA2ATLR7
SCHEMBL23057767 0.77 DYRK1A (0.39) DYRK1AEIF2AK3METAXL
SCHEMBL30060936 0.77 DYRK1A (0.39) DYRK1AEIF2AK3METAXL
SCHEMBL23057761 0.76 EIF2AK3 (0.45) DYRK1AEIF2AK3METAXL
SCHEMBL30062927 0.76 EIF2AK3 (0.45) DYRK1AEIF2AK3METAXL
SCHEMBL30060920 0.76 DYRK1A (0.40) DYRK1AADORA1ADORA2AEIF2AK3MET

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-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
WO-2017213825-A1 TREATMENT METHODS HAVING REDUCED DRUG-RELATED TOXICITY AND METHODS OF IDENTIFYING THE LIKELIHOOD OF PATIENT HARM FROM PRESCRIBED MEDICATIONS TABULA RASA HEALTHCARE, INC. (US) 2017-12-14 WO disclosed
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. (US) 2017-12-07 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 (1 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-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP DYRK1A 4650/4885ADORA1 2833/4885ADORA2A 2330/4885

“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.