SCHEMBL21362866

SCHEMBL21362866

CCCC(C)c1ncnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
S1PR2 O95136 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GALR3 O60755 1/20 0.42
NR2F2 P24468 1/20 0.42
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 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
SCHEMBL20115779 0.86 PI4KA (0.44) SMN1; SMN2S1PR2LMNANPSR1KMT2A
SCHEMBL25679866 0.85 SMN1; SMN2 (0.44) SMN1; SMN2S1PR2LMNANPSR1KMT2A
SCHEMBL6371765 0.80 PI4KA (0.52) SMN1; SMN2LMNAKMT2AGALR3NR2F2
SCHEMBL22436033 0.77 SMN1; SMN2 (0.51) SMN1; SMN2S1PR2LMNANPSR1KMT2A
SCHEMBL27877228 0.76 SMN1; SMN2 (0.47) SMN1; SMN2S1PR2LMNANPSR1KMT2A
SCHEMBL22918311 0.76 SMN1; SMN2 (0.54) SMN1; SMN2S1PR2LMNANPSR1KMT2A
SCHEMBL28260795 0.75 PI4KA (0.47) SMN1; SMN2LMNAKMT2AGALR3NR2F2
SCHEMBL20244030 0.73 LOXL2 (0.43) GAAHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL29249917 0.73 LMNA (0.49) SMN1; SMN2LMNAKMT2AHSD17B10RAB9A
SCHEMBL22607190 0.73 EGFR (0.32) HTTEGFR

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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC. 2019-09-19 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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP SMN1; SMN2 3238/4885S1PR2 3215/4885LMNA 3964/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 SMN1; SMN2 3306/4885S1PR2 1337/4885LMNA 3502/4885

“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.