SCHEMBL21348442

SCHEMBL21348442

CCc1ncnc2c1cnn2C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 2/20 0.58
ALOX15 P16050 1/20 0.58
PI4KA P42356 1/20 0.58
PI4K2B Q8TCG2 1/20 0.58
PI4K2A Q9BTU6 1/20 0.58
PI4KB Q9UBF8 1/20 0.58
NSD2 O96028 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 3/20 0.48
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.46
HAVCR2 Q8TDQ0 1/20 0.45
CYP1A2 P05177 1/20 0.45
TP53 P04637 4/20 0.44
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL24175519 0.77 GSK3B (0.37) SMN1; SMN2KDM4EALOX15PI4KAPI4K2B
SCHEMBL4379601 0.77 PI4KA (0.61) SMN1; SMN2KDM4EALOX15PI4KAPI4K2B
SCHEMBL256211 0.75 PI4KA (0.63) SMN1; SMN2KDM4EALOX15PI4KAPI4K2B
SCHEMBL25237125 0.75 PI4KA (0.63) SMN1; SMN2KDM4EALOX15PI4KAPI4K2B
SCHEMBL25605061 0.73 PI4KA (0.61) SMN1; SMN2KDM4EALOX15PI4KAPI4K2B
SCHEMBL12826084 0.73 PI4KA (0.61) SMN1; SMN2KDM4EALOX15PI4KAPI4K2B
SCHEMBL130407 0.73 PI4KA (1.00) SMN1; SMN2KDM4EALOX15PI4KAPI4K2B
SCHEMBL13510 0.73 PI4KA (0.61) SMN1; SMN2KDM4EALOX15PI4KAPI4K2B
SCHEMBL29935739 0.73 PI4KA (0.56) SMN1; SMN2KDM4EALOX15PI4KAPI4K2B
SCHEMBL12766976 0.70 PI4KA (0.58) SMN1; SMN2KDM4EALOX15PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 US disclosed
US-20210347964-A1 RESIN COMPOSITION AND ELECTRONIC DEVICE Konica Minolta, Inc. (JP) 2021-11-11 US disclosed
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC (US) 2021-01-28 US disclosed
US-10793564-B2 Amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-10-06 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
WO-2020071415-A1 RESIN COMPOSITION AND ELECTRONIC DEVICE コニカミノルタ株式会社 2020-04-09 WO disclosed
US-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC. 2019-09-19 US disclosed
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2019-09-12 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 (6 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 3238/4885KDM4E 3935/4885ALOX15 3737/4885
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 SMN1; SMN2 3306/4885KDM4E 2697/4885ALOX15 1874/4885
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 SMN1; SMN2 1740/4885KDM4E 3129/4885ALOX15 899/4885
US-10793564-B2 Amino acid compounds and methods of use ITGB6, ITGA6, ITGA5 SMN1; SMN2 1788/4885KDM4E 3239/4885ALOX15 2220/4885
US-20190276449-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 SMN1; SMN2 1788/4885KDM4E 3239/4885ALOX15 2220/4885
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, PNKP SMN1; SMN2 3349/4885KDM4E 3772/4885ALOX15 3566/4885

“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.