SCHEMBL20130427

SCHEMBL20130427

CCCNc1ncnc(C)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 1/20 0.54
RAF1 P04049 1/20 0.54
KMT2A Q03164 1/20 0.54
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
CHRM4 P08173 1/20 0.45
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
S1PR2 O95136 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL20130428 0.89 TLR8 (0.53) POLBLMNASMN1; SMN2MEN1RAF1
SCHEMBL16090164 0.83 KDM4E (0.43) POLBLMNASMN1; SMN2MEN1RAF1
SCHEMBL25509455 0.82 CYP1A2 (0.44) POLBLMNASMN1; SMN2MEN1RAF1
SCHEMBL18519960 0.81 POLB (0.53) POLBLMNASMN1; SMN2MEN1RAF1
SCHEMBL16090155 0.77 POLB (0.35) POLBLMNASMN1; SMN2MEN1RAF1
SCHEMBL23895417 0.74 TSHR (0.43) POLBLMNASMN1; SMN2MEN1RAF1
SCHEMBL11105298 0.73 DRD2 (0.50) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL11102255 0.73 PIK3CD (0.53) NPC1RAB9A
SCHEMBL11100661 0.73 PPARD (0.41) LMNASMN1; SMN2HTTALDH1A1S1PR2
SCHEMBL17623405 0.72 ALDH1A1 (0.41) LMNASMN1; SMN2MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20180125937-A1 MODIFIED NUCLEOSIDE, NUCLEOTIDE, AND NUCLEIC ACID COMPOSITIONS MODERNATX, INC. (US) 2018-05-10 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 (2 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-20180125937-A1 MODIFIED NUCLEOSIDE, NUCLEOTIDE, AND NUCLEIC ACID COMPOSITIONS NSUN2, RNMT, NSUN3 POLB 139/4885LMNA 122/4885SMN1; SMN2 171/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 POLB 392/4885LMNA 3502/4885SMN1; SMN2 3306/4885

“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.