SCHEMBL13192053

SCHEMBL13192053

Cn1cc(Cl)c2c(N)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
LRRK2 Q5S007 2/20 0.42
SRC P12931 4/20 0.42
KDR P35968 3/20 0.42
LCK P06239 2/20 0.42
TEK Q02763 1/20 0.42
EIF2AK3 Q9NZJ5 8/20 0.41
PI4KB Q9UBF8 2/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
DYRK1A Q13627 1/20 0.41
ABL1 P00519 3/20 0.40
EGFR P00533 2/20 0.39
HCK P08631 2/20 0.39
DAPK3 O43293 1/20 0.39
RIPK2 O43353 1/20 0.39
CYP1A2 P05177 1/20 0.39
FYN P06241 1/20 0.39

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
SCHEMBL24393322 0.79 ADORA2A (0.32) ADORA2AADORA1LRRK2EIF2AK3
SCHEMBL463027 0.79 ADK (0.48) ADORA2AADORA1LRRK2SRCKDR
SCHEMBL869181 0.78 ADK (0.49) ADORA2AADORA1LRRK2SRCKDR
SCHEMBL1585102 0.78 ADK (0.49) ADORA2AADORA1LRRK2PI4KBPI4KA
SCHEMBL23735269 0.78 SRC (0.39) ADORA2AADORA1LRRK2SRCKDR
SCHEMBL6430725 0.78 EIF2AK3 (0.46) ADORA2AADORA1LRRK2EIF2AK3PI4KB
SCHEMBL19679363 0.77 LCK (0.63) SRCKDRLCKTEKPI4KB
SCHEMBL6363939 0.77 KDR (0.53) ADORA2AADORA1SRCKDRLCK
SCHEMBL12590784 0.76 KMO (0.38) ADORA2AADORA1EIF2AK3KDM4E
SCHEMBL13020096 0.76 SRC (0.69) SRCKDRLCKTEKEIF2AK3

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 12 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-2020065408-A1 SULFOMALEIMIDE-BASED LINKERS AND CORRESPONDING CONJUGATES PIERRE FABRE MEDICAMENT (FR) 2020-04-02 WO 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
US-20160280729-A1 CYCLOPENTANE AND CYCLOPENTENE NUCLEOSIDE ANALOGS FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2016-09-29 US disclosed
US-9186369-B2 Purine nucleoside analogues for treating flaviviridae including hepatitis C IDENIX PHARMACEUTICALS, LLC (US) 2015-11-17 US disclosed
US-20140234251-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C INDENIX PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-8759510-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2014-06-24 US disclosed
US-8742101-B2 Purine nucleoside analogues for treating flaviviridae including hepatitis C IDENIX PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES GILEAD PHARMASSET LLC (US) 2012-10-11 US disclosed
US-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C IDENIX PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
WO-2007027248-A2 3', 5' - CYCLIC NUCLEOSIDE ANALOGUES FOR TREATMENT OF HCV VALEANT RESEARCH & DEVELOPMENT (US) 2007-03-08 WO 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 (5 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-20160280729-A1 CYCLOPENTANE AND CYCLOPENTENE NUCLEOSIDE ANALOGS FOR THE TREATMENT OF HCV ZC3HAV1, HAVCR2, NSUN2 ADORA2A 21/4885ADORA1 19/4885LRRK2 1581/4885
US-20140234251-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP ADORA2A 112/4885ADORA1 297/4885LRRK2 4102/4885
US-20170348313-A1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS DUT, NCL, TYMP ADORA2A 2330/4885ADORA1 2833/4885LRRK2 3699/4885
US-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP ADORA2A 112/4885ADORA1 297/4885LRRK2 4102/4885
US-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP ADORA2A 102/4885ADORA1 163/4885LRRK2 3433/4885

“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.