SCHEMBL554626

SCHEMBL554626

CN1C(=O)COc2ccc(CO)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
HTR1A P08908 5/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR1D P28221 3/20 0.46
HTR1B P28222 3/20 0.46
SLC6A4 P31645 1/20 0.46
KCNH2 Q12809 1/20 0.46
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
USP30 Q70CQ3 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
KLKB1 P03952 1/20 0.42
KMO O15229 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
SCHEMBL9411050 0.88 HTR1A (0.51) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL764050 0.86 PARP1 (0.50) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL9197069 0.85 PDE3B (0.48) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL8201340 0.85 PDE3B (0.48) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL10929292 0.84 PDE3B (0.45) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL17316537 0.84 TSHR (0.50) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL8249215 0.84 HTR1A (0.52) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL5342839 0.83 CYP1A2 (0.43) TSHRHTTCYP1A2CYP3A4CYP2D6
SCHEMBL8185283 0.82 PDE3B (0.46) PDE3BPDE3AHTR1ADRD2HTR2A
SCHEMBL4173618 0.82 HTR1A (0.51) PDE3BPDE3AHTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 CN disclosed
CN-113999232-A MAT2A inhibitors 南京正大天晴制药有限公司 2022-02-01 CN disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
US-9290485-B2 N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides NOVARTIS AG (CH) 2016-03-22 US disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed
EP-2601189-B1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2015-04-15 EP disclosed
EP-2601189-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN Novartis AG (CH) 2013-06-12 EP disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
WO-2012017020-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2012-02-09 WO 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 (1 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-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT PDE3B 698/4885PDE3A 400/4885HTR1A 263/4885

“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.