SCHEMBL6469168

SCHEMBL6469168

O=c1ccnc2ncccn12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.57
BACE1 P56817 2/20 0.47
PARP1 P09874 1/20 0.41
DYRK1A Q13627 1/20 0.41
GRM5 P41594 1/20 0.40
CCNK O75909 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
GLA P06280 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE10A Q9Y233 1/20 0.38
PKM P14618 5/20 0.37
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.35
KLK7 P49862 1/20 0.34
NPC1 O15118 1/20 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
Hydrochloric Acid SCHEMBL6445246 0.98 ADORA3 (0.55) ADORA3BACE1PARP1DYRK1AGRM5
SCHEMBL10431236 0.75 ADORA3 (0.44) ADORA3GRM5
SCHEMBL16376263 0.74 BACE1 (0.40) ADORA3BACE1PARP1DYRK1ACCNK
SCHEMBL3326263 0.72 ADORA3 (0.71) ADORA3BACE1PARP1DYRK1AGRM5
SCHEMBL174735 0.72 ADORA3 (1.00) ADORA3DYRK1AGRM5KDM4EALDH1A1
SCHEMBL20067222 0.72 PDE10A (0.45) ADORA3BACE1PARP1DYRK1ACCNK
SCHEMBL22144643 0.71 KDM4E (0.47) PARP1KDM4EALDH1A1GAAGLA
Hydrochloric Acid SCHEMBL5127992 0.71 ADORA3 (0.96) ADORA3DYRK1AGRM5KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10598992 0.71 ADORA3 (0.96) ADORA3DYRK1AGRM5KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5129999 0.71 ADORA3 (0.96) ADORA3DYRK1AGRM5KDM4EALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430057-A2 SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO 1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO 1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES Sanofi-Aventis (FR) 2004-06-23 EP claimed
WO-2003027116-A2 SUBSTITUTED 2-PYRIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2003-04-03 WO claimed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP claimed
WO-2025233837-A1 4H-PYRIMIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES FOR USE AS NLRP3 INFLAMMASOME INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-11-13 WO disclosed
WO-2025233837-A1 4H-PYRIMIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES FOR USE AS NLRP3 INFLAMMASOME INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-11-13 WO disclosed
WO-2025136898-A1 AGONISTS OF TREM2 ACTIVITY MERCK SHARP & DOHME LLC (US) 2025-06-26 WO disclosed
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
EP-1608654-A2 8-SUBSTITUTED-6, 7, 8,9-TETRAHY9DROPYRIMIDO (1,2- a) PYRIMIDIN-4-ONE DERIVATIVES Sanofi-Aventis (FR) 2005-12-28 EP disclosed
EP-1480983-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYDIMIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES Sanofi-Aventis (FR) 2004-12-01 EP disclosed
WO-2004082577-A2 8-SUBSTITUTED-6, 7, 8, 9-TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2004-09-30 WO disclosed
EP-1430056-A1 SUBSTITUTED 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIMIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES FOR NEURODEGENERATIVE DISORDERS Sanofi-Aventis (FR) 2004-06-23 EP disclosed
WO-2003072579-A1 HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9- TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES SANOFI-AVENTIS (FR) 2003-09-04 WO disclosed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
WO-2003027115-A1 SUBSTITUTED 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-A]PYRIMIDIN-4-ONE AND 7-PYRIMIDINYL-2,3-DIHYDROIMIDAZO[1,2-A]PYRIMIDIN-5(1H)ONE DERIVATIVES FOR NEURODEGENERATIVE DISORDERS SANOFI-SYNTHELABO (FR) 2003-04-03 WO disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed
US-3907798-A Preparation of 4H-pyrido{8 1,2-a{9 pyrimidin-4-ones from cyclic alkylidene 2-pyridylaminomethylenemalonates STERLING DRUG INC 1975-09-23 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 (5 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 2909/4885BACE1 2929/4885PARP1 3479/4885
US-20230272367-A1 METHODS FOR MODULATING RNA SPLICING RBM17, SNRPE, HNRNPM ADORA3 4274/4885BACE1 2643/4885PARP1 4053/4885
US-11702646-B2 Methods for modulating RNA splicing RBM17, SNRPE, HNRNPM ADORA3 4274/4885BACE1 2643/4885PARP1 4053/4885
US-20230310651-A1 METHODS FOR MODULATING RNA SPLICING RBM17, SNRPE, RBM3 ADORA3 3782/4885BACE1 2430/4885PARP1 3896/4885
US-11753407-B2 Compounds for treating spinal muscular atrophy SMN1; SMN2, CPT1B, GYS1 ADORA3 1293/4885BACE1 2480/4885PARP1 3004/4885

“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.