SCHEMBL21362871

SCHEMBL21362871

CC(C)c1ncnc2ncn(C)c12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.43
ADORA1 P30542 3/20 0.43
PRKDC P78527 3/20 0.33
GDA Q9Y2T3 2/20 0.31
PIK3CD O00329 1/20 0.31
POLB P06746 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
CNR1 P21554 1/20 0.31
ACHE P22303 1/20 0.31
ADORA2B P29275 1/20 0.31
NTSR1 P30989 1/20 0.31
MC3R P41968 1/20 0.31
NOTUM Q6P988 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
NR2E1 Q9Y466 1/20 0.31
YTHDC1 Q96MU7 1/20 0.30

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
SCHEMBL24393386 0.74 ADORA2A (0.41) ADORA2AADORA1GDAPIK3CDPOLB
SCHEMBL754067 0.73 ADORA2A (0.40) ADORA2AADORA1GDA
SCHEMBL7040284 0.72 ADORA2A (0.40) ADORA2AADORA1GDAPIK3CDPOLB
SCHEMBL5355348 0.72 ADORA2A (0.40) ADORA2AADORA1GDAPIK3CDPOLB
SCHEMBL2414858 0.72 ADORA2A (0.40) ADORA2AADORA1GDAPIK3CDPOLB
SCHEMBL26976 0.72 ADORA2A (0.61) ADORA2AADORA1PIK3CDADORA2B
SCHEMBL10296681 0.69 TP53 (0.42) ADORA2AADORA1GDAPIK3CDPOLB
SCHEMBL2297600 0.69 YTHDC1 (0.53) ADORA2AADORA1YTHDC1
SCHEMBL24278345 0.69 ADORA2A (0.38) ADORA2AADORA1GDAPIK3CDPOLB
SCHEMBL12141962 0.69 ADORA1 (0.56) ADORA2AADORA1ADORA2BYTHDC1

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-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 US disclosed
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC (US) 2021-01-28 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 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 (4 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 ADORA2A 1867/4885ADORA1 3493/4885PRKDC 1696/4885
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ADORA2A 336/4885ADORA1 763/4885PRKDC 1117/4885
US-20220135598-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, ENPP2 ADORA2A 654/4885ADORA1 570/4885PRKDC 504/4885
US-20210023234-A1 ECTONUCLEOTIDE PYROPHOSPHATE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, PNKP ADORA2A 1363/4885ADORA1 2695/4885PRKDC 1426/4885

“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.