SCHEMBL19684529

SCHEMBL19684529

Cc1nc(N)c2ccn(C)c2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.42
ADORA1 P30542 3/20 0.39
ADORA2A P29274 2/20 0.39
DHFR P00374 1/20 0.39
TLR7 Q9NYK1 1/20 0.34
DYRK1A Q13627 3/20 0.33
KCNN3 Q9UGI6 1/20 0.33
PIK3CB P42338 1/20 0.33
PRKD3 O94806 1/20 0.33
CLK2 P49760 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PRKCI P41743 1/20 0.32
ADORA2B P29275 1/20 0.32
LIMK1 P53667 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL14286510 0.82 HRH4 (0.54) HRH4DHFRPIK3CB
SCHEMBL789756 0.80 HRH4 (0.37) HRH4DHFRDYRK1AKCNN3PRKD3
SCHEMBL19711588 0.79 ADORA1 (0.35) ADORA1ADORA2ATLR7DYRK1AADORA2B
SCHEMBL20333347 0.79 CDK1 (0.50) HRH4DHFRPIK3CBPRKCI
SCHEMBL19033043 0.77 HSD11B1 (0.36) HRH4DYRK1AKCNN3PRKD3CLK2
SCHEMBL25590761 0.77 HRH4 (0.36) HRH4DYRK1AKCNN3PRKD3CLK2
SCHEMBL18711826 0.77 HRH4 (0.36) HRH4DYRK1AKCNN3PRKD3CLK2
SCHEMBL784138 0.77 CDK1 (0.36) ADORA1ADORA2ADHFRTLR7ADORA2B
SCHEMBL18026004 0.77 TLR7 (0.35) ADORA1ADORA2ATLR7
SCHEMBL18056018 0.73 HRH4 (0.53) HRH4DHFRDYRK1AKCNN3PIK3CB

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 HRH4 4619/4885ADORA1 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.