SCHEMBL3490995

SCHEMBL3490995

O=c1ccnc2s[c]cn12

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
GRM5 P41594 1/20 0.31

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
SCHEMBL1021249 0.67 CHEK1 (0.46) ADORA3
SCHEMBL2442027 0.65 ADORA3 (0.32) ADORA3
SCHEMBL16636639 0.62 ADORA3 (0.36) ADORA3
SCHEMBL9215127 0.62 MAPT (0.36) ADORA3
SCHEMBL4403934 0.61 RAB9A (0.44)
SCHEMBL17459220 0.59 ADORA3 (0.40) ADORA3GRM5
SCHEMBL6469168 0.57 ADORA3 (0.57) ADORA3GRM5
SCHEMBL7011742 0.56 ADORA3 (0.46) ADORA3GRM5
SCHEMBL174735 0.56 ADORA3 (1.00) ADORA3GRM5
SCHEMBL7018068 0.56 ADORA3 (0.55) ADORA3GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3600312-B1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2023-05-17 EP claimed
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA CALIFORNIA, INC. 2020-12-03 US claimed
EP-0389352-B1 4-Fluoro-benzene derivatives, process for their preparation and pharmaceutical compositions containing these compounds ADIR (FR) 1994-04-13 EP claimed
US-5077288-A Adrenergic, serotonin and histamine antagonist ADIR ET COMPAGNIE (FR) 1991-12-31 US claimed
EP-3600312-B1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2023-05-17 EP disclosed
CN-110520127-B Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 武田药品工业株式会社 2023-05-16 CN disclosed
US-20220119361-A1 3-AMINO-4H-BENZO[E][1,2,4]THIADIAZINE 1,1-DIOXIDE DERIVATIVES AS INHIBITORS OF MRGX2 SOLENT THERAPEUTICS, LLC 2022-04-21 US disclosed
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA CALIFORNIA, INC. 2020-12-03 US disclosed
WO-2020223255-A1 3-AMINO-4H-BENZO[E][1,2,4]THIADIAZINE 1,1-DIOXIDE DERIVATIVES AS INHIBITORS OF MRGX2 SOLENT THERAPEUTICS, LLC (US) 2020-11-05 WO disclosed
US-20200277262-A1 N-(CYANO-SUBSTITUTED BENZYL OR PYRIDINYLMETHYL)-3-HYDROXYPICOLINAMIDE DERIVATIVES JONES BENJAMIN (US) 2020-09-03 US disclosed
EP-3676251-A1 N-(CYANO-SUBSTITUTED BENZYL OR PYRIDINYLMETHYL)-3-HYDROXYPICOLINAMIDE DERIVATIVES USEFUL AS HIF PROLYL HYDROXYLASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2020-07-08 EP disclosed
WO-2019060850-A1 N-(CYANO-SUBSTITUTED BENZYL OR PYRIDINYLMETHYL)-3-HYDROXYPICOLINAMIDE DERIVATIVES USEFUL AS HIF PROLYL HYDROXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-03-28 WO disclosed
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 US disclosed
US-5077288-A Adrenergic, serotonin and histamine antagonist ADIR ET COMPAGNIE (FR) 1991-12-31 US disclosed
US-5077288-A Adrenergic, serotonin and histamine antagonist ADIR ET COMPAGNIE (FR) 1991-12-31 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP ADORA3 1894/4885GRM5 2570/4885
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 GPR6, GPR3, GPR68 ADORA3 122/4885GRM5 76/4885
US-20200277262-A1 N-(CYANO-SUBSTITUTED BENZYL OR PYRIDINYLMETHYL)-3-HYDROXYPICOLINAMIDE DERIVATIVES P4HA1, HRH3, HRH1 ADORA3 783/4885GRM5 2502/4885
US-20220119361-A1 3-AMINO-4H-BENZO[E][1,2,4]THIADIAZINE 1,1-DIOXIDE DERIVATIVES AS INHIBITORS OF MRGX2 TPX2, MRGPRX2, CBX2 ADORA3 990/4885GRM5 153/4885

“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.