SCHEMBL5522155

SCHEMBL5522155

Nc1ncnc2[nH]cc(C#Cc3ccccc3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.44
ABL1 P00519 1/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADK P55263 4/20 0.42
DHFR P00374 1/20 0.41
PIK3CD O00329 2/20 0.41
AAK1 Q2M2I8 2/20 0.41
ADORA3 P0DMS8 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
SCHEMBL5522262 0.84 CHEK1 (0.47) MAPTKDM4EMEN1NPC1ALDH1A1
SCHEMBL16236688 0.80 LRRK2 (0.43) ABL1GRM5LRRK2
SCHEMBL16236512 0.80 HTR6 (0.45) MEN1ALDH1A1HPGDKMT2APIK3CD
SCHEMBL16237017 0.80 ABL1 (0.49) ABL1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16236051 0.80 ABL1 (0.49) ABL1PIK3CDGRM5PIK3CAPIK3CB
SCHEMBL16254764 0.80 POLB (0.45) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16236452 0.77 MAP4K4 (0.47) RETABL1GRM5LRRK2PIK3CA
SCHEMBL16254863 0.77 TNNI3K (0.50)
SCHEMBL16236077 0.77 KDR (0.47) ABL1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL16236903 0.77 KDR (0.46) ABL1ALDH1A1AAK1GRM5

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 4 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
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
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 RET 1627/4885ABL1 4171/4885MAPT 4620/4885

“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.