SCHEMBL3326263

SCHEMBL3326263

O=c1cccc2ncccn12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.71
CDK8 P49336 2/20 0.43
ROCK1 Q13464 2/20 0.43
CHEK1 O14757 1/20 0.43
MAP4K4 O95819 1/20 0.43
CSF1R P07333 1/20 0.43
PRKACA P17612 1/20 0.43
KDR P35968 1/20 0.43
MAP2K1 Q02750 1/20 0.43
ACVR1 Q04771 1/20 0.43
MAP4K2 Q12851 1/20 0.43
DYRK1A Q13627 1/20 0.43
AURKB Q96GD4 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
GRM5 P41594 3/20 0.42
FLT1 P17948 1/20 0.39
CDK9 P50750 1/20 0.39
LIMK1 P53667 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
KDM4E B2RXH2 4/20 0.34

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
SCHEMBL174735 0.83 ADORA3 (1.00) ADORA3CDK8ROCK1CHEK1MAP4K4
Hydrochloric Acid SCHEMBL5127992 0.82 ADORA3 (0.96) ADORA3CDK8ROCK1CHEK1MAP4K4
Hydrochloric Acid SCHEMBL5129999 0.82 ADORA3 (0.96) ADORA3CDK8ROCK1CHEK1MAP4K4
Hydrochloric Acid SCHEMBL10598992 0.82 ADORA3 (0.96) ADORA3CDK8ROCK1CHEK1MAP4K4
SCHEMBL30724570 0.75 ADORA3 (0.55) ADORA3CDK8ROCK1CHEK1MAP4K4
SCHEMBL6469168 0.72 ADORA3 (0.57) ADORA3DYRK1AGRM5KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL5132448 0.71 ADORA3 (0.73) ADORA3CDK8ROCK1CHEK1MAP4K4
Hydrochloric Acid SCHEMBL6445246 0.71 ADORA3 (0.55) ADORA3DYRK1AGRM5KDM4EALDH1A1
SCHEMBL20223111 0.69 ADORA3 (0.44) ADORA3CDK8ROCK1CHEK1MAP4K4
SCHEMBL19153793 0.68 ADORA3 (0.42) ADORA3CDK8ROCK1CHEK1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2024-02-29 US disclosed
US-20230310651-A1 METHODS FOR MODULATING RNA SPLICING PTC THERAPEUTICS, INC. (US) 2023-10-05 US disclosed
US-11753407-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-20230272367-A1 METHODS FOR MODULATING RNA SPLICING PTC THERAPEUTICS, INC. (US) 2023-08-31 US disclosed
US-11702646-B2 Methods for modulating RNA splicing PTC THERAPEUTICS, INC. (US) 2023-07-18 US disclosed
US-20180161456-A1 METHODS FOR MODULATING RNA SPLICING PTC THERAPEUTICS, INC. (US) 2018-06-14 US disclosed
US-20180105526-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2018-04-19 US disclosed
US-9879007-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2018-01-30 US disclosed
US-20170129885-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2017-05-11 US disclosed
US-9586955-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-20170000794-A1 METHODS FOR MODULATING THE AMOUNT OF RNA TRANSCRIPTS PTC THERAPEUTICS, INC. 2017-01-05 US disclosed
US-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2015-01-01 US disclosed
US-20100137230-A1 NEW PYRIDIN-2-ONE COMPOUNDS WEBER LUTZ 2010-06-03 US disclosed
US-20080176860-A1 PYRIDIN-2-ONE COMPOUNDS WEBER LUTZ 2008-07-24 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 (12 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-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 ADORA3 2909/4885CDK8 3266/4885ROCK1 3127/4885
US-20080176860-A1 PYRIDIN-2-ONE COMPOUNDS SLC11A2, ABCC1, DHFR ADORA3 3047/4885CDK8 1392/4885ROCK1 3303/4885
US-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 ADORA3 3003/4885CDK8 2697/4885ROCK1 3287/4885
US-20230272367-A1 METHODS FOR MODULATING RNA SPLICING RBM17, SNRPE, HNRNPM ADORA3 4274/4885CDK8 3303/4885ROCK1 3572/4885
US-20180105526-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 ADORA3 3003/4885CDK8 2697/4885ROCK1 3287/4885
US-11702646-B2 Methods for modulating RNA splicing RBM17, SNRPE, HNRNPM ADORA3 4274/4885CDK8 3303/4885ROCK1 3572/4885
US-20100137230-A1 NEW PYRIDIN-2-ONE COMPOUNDS ABCC1, BLVRB, NDUFS5 ADORA3 2311/4885CDK8 1079/4885ROCK1 3540/4885
US-20180161456-A1 METHODS FOR MODULATING RNA SPLICING RBM17, SNRPE, RBM3 ADORA3 3782/4885CDK8 3335/4885ROCK1 3299/4885
US-20170000794-A1 METHODS FOR MODULATING THE AMOUNT OF RNA TRANSCRIPTS RNMT, NSUN2, RNGTT ADORA3 4221/4885CDK8 2619/4885ROCK1 3138/4885
US-20170129885-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 ADORA3 3003/4885CDK8 2697/4885ROCK1 3287/4885
US-20230310651-A1 METHODS FOR MODULATING RNA SPLICING RBM17, SNRPE, RBM3 ADORA3 3782/4885CDK8 3335/4885ROCK1 3299/4885
US-11753407-B2 Compounds for treating spinal muscular atrophy SMN1; SMN2, CPT1B, GYS1 ADORA3 1293/4885CDK8 1821/4885ROCK1 3428/4885

“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.