SCHEMBL5522171

SCHEMBL5522171

C#Cc1c[nH]c2ncnc(N)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.40
RET P07949 3/20 0.40
DAPK3 O43293 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
IGF1R P08069 1/20 0.40
FGFR1 P11362 1/20 0.40
PRKACA P17612 1/20 0.40
FLT1 P17948 1/20 0.40
LTK P29376 1/20 0.40
KDR P35968 1/20 0.40
MAP2K2 P36507 1/20 0.40
FLT3 P36888 1/20 0.40
MAPK8 P45983 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40

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
Toyocamycin Aglycone SCHEMBL7698538 0.81 MAP3K7 (0.54) LRRK2ROCK1MAP3K7TAB1CHUK
SCHEMBL1737697 0.80 CHEK1 (0.56) LRRK2JAK3MAP3K7TAB1CHEK1
SCHEMBL9254230 0.80 JAK3 (0.39) LRRK2ROCK1JAK3MAP3K7TAB1
SCHEMBL5527750 0.76 RET (0.38) LRRK2RETFLT3ROCK1MAP3K7
SCHEMBL18844347 0.76 MAP3K7 (0.38) LRRK2RETMAP3K7TAB1CHEK1
SCHEMBL5805420 0.74 RET (0.43) LRRK2RETDAPK3MAP4K4PAK4
SCHEMBL5522155 0.74 RET (0.44) LRRK2RETABL1ADK
SCHEMBL6531144 0.72 RET (0.42) LRRK2RETFLT3AURKBCHEK1
SCHEMBL3536255 0.72 LRRK2 (0.58) LRRK2FLT3CDK8MAP2K1ROCK1
SCHEMBL23735452 0.71 CHEK1 (0.48) LRRK2RETABL1CDK5CHEK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169918-B2 Methods for preparing 7-(2′-substituted-β-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-01-30 US claimed
EP-1682564-A1 METHODS FOR PREPARING 7-(2 -SUBSTITUTED-s-D-RIBOFURANO SYL)-4-(NR2R3)-5-(SUBSTITUTED ETHYN-1-YL)-PYRROLO 2,3-D|PYRIMIDINE DERIVATIVES GENELABS TECHNOLOGIES, INC. (US) 2006-07-26 EP claimed
US-20050215510-A1 Methods for preparing 7-(2'-substituted-beta-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. 2005-09-29 US claimed
WO-2005044835-A1 METHODS FOR PREPARING 7-(2'-SUBSTITUTED-ß-D-RIBOFURANOSYL)-4-(NR2R3)-5-(SUBSTITUTED ETHYN-1-YL)-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES GENELABS TECHNOLOGIES, INC. (US) 2005-05-19 WO claimed
EP-3728282-B1 2'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-11-22 EP disclosed
EP-3934757-B1 2'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) 2023-02-22 EP disclosed
WO-2022260336-A2 NUCLEOSIDE DERIVATIVE HAVING MULTI-TARGET KINASE INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING CANCER COMPRISING SAME 퓨쳐메디신 주식회사 2022-12-15 WO disclosed
EP-3936514-A1 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE Institute of Organic Chemistry and Biochemistry ASCR, V.V.I. (CZ) 2022-01-12 EP disclosed
US-7169918-B2 Methods for preparing 7-(2′-substituted-β-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-01-30 US disclosed
US-20050215510-A1 Methods for preparing 7-(2'-substituted-beta-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives GENELABS TECHNOLOGIES, INC. 2005-09-29 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-20050215510-A1 Methods for preparing 7-(2'-substituted-beta-D-ribofuranosyl)-4-(NR2R3)-5-(substituted ethyn-1-yl)-pyrrolo[2,3-d]pyrimidine derivatives HAVCR2, NR4A3, NR2C2 LRRK2 2992/4885RET 1627/4885DAPK3 1325/4885

“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.