SCHEMBL587003

SCHEMBL587003

O=c1ccc2ccc(Cl)nc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
F11 P03951 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3729985 0.78 ADORA1 (0.44) CA12CA9F11PDE3BPDE3A
SCHEMBL28647686 0.76 PDE3B (0.45) CA12CA9F11PDE3BPDE3A
SCHEMBL4136622 0.74 PDE3B (0.47) KMT2ACA12CA9PDE3BPDE3A
SCHEMBL589179 0.74 SIRT2 (0.52) KMT2ASIRT2GRIN2DGRIN3BGRIN1
SCHEMBL5076877 0.74 CA12 (0.42) CA12CA9F11PDE3BPDE3A
SCHEMBL30194326 0.72 KDM4E (0.39) KMT2ASIRT2GRIN2DGRIN3BGRIN1
SCHEMBL9978586 0.72 KDM4E (0.39) KMT2ASIRT2GRIN2DGRIN3BGRIN1
SCHEMBL23638392 0.71 GRIN2D (0.40) KMT2ASIRT2GRIN2DGRIN3BGRIN1
SCHEMBL586465 0.71 GRIN2D (0.40) KMT2ASIRT2GRIN2DGRIN3BGRIN1
SCHEMBL29838094 0.71 GRIN2D (0.40) KMT2ASIRT2GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113387962-A Pyrazolo [3,4-d ] pyrimidine-3-one derivative, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2021-09-14 CN disclosed
US-RE48731-E1 Dihydronaphthyridines and related compounds useful as kinase inhibitors for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2021-09-14 US disclosed
WO-2021139775-A1 PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2021-07-15 WO disclosed
US-20210179636-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2021-06-17 US disclosed
EP-3722296-A2 DIHYDRONAPHTHYRIDINES AND RELATED COMPOUNDS USEFUL AS KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC (US) 2020-10-14 EP disclosed
US-10640488-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-05-05 US disclosed
US-10640488-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-05-05 US disclosed
US-10633366-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-04-28 US disclosed
US-10633366-B2 Antibacterial compounds AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2020-04-28 US disclosed
EP-3468975-B1 NEW ANTIBACTERIAL COMPOUNDS ACRAF (IT) 2020-04-01 EP disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO disclosed
WO-2006090273-A2 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS WITH KETO OR HYDROXYL LINKERS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-08-31 WO disclosed
WO-2006090272-A1 ISOQUINOLINE [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-08-31 WO disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
EP-0988045-B1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS NIELSEN PETER EIGIL (DK) 2006-02-08 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 US disclosed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
US-6632919-B1 Bind Watson-Crick base pairs in a double helix; specific for thymidine Nielsen, Peter (DK) 2003-10-14 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 (6 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-10633366-B2 Antibacterial compounds MRPL21, LAS1L, MRPL19 KMT2A 4444/4885CA12 4618/4885CA9 2554/4885
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 KMT2A 1551/4885CA12 4774/4885CA9 4298/4885
US-20210179636-A1 ANTIBACTERIAL COMPOUNDS OXA1L, SYMPK, TBCD KMT2A 4471/4885CA12 4725/4885CA9 3977/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 KMT2A 4042/4885CA12 4212/4885CA9 2959/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 KMT2A 1551/4885CA12 4774/4885CA9 4298/4885
US-10640488-B2 Antibacterial compounds MRPL21, CLPP, NRDC KMT2A 4691/4885CA12 4771/4885CA9 4016/4885

“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.