SCHEMBL3511587

SCHEMBL3511587

CC(N)[CH]C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 2/20 0.50
SLC47A1 Q96FL8 2/20 0.50
MAPT P10636 2/20 0.48
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36
GRIN2D O15399 5/20 0.36
GRIN3B O60391 5/20 0.36
GRIN1 Q05586 5/20 0.36
GRIN2A Q12879 5/20 0.36
GRIN2B Q13224 5/20 0.36
GRIN2C Q14957 5/20 0.36
GRIN3A Q8TCU5 5/20 0.36
LMNA P02545 2/20 0.36
SLC22A1 O15245 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
STAT6 P42226 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL5306263 0.80 SLC22A2 (0.42) SLC22A2SLC47A1MAPTNPFFR1NPFFR2
SCHEMBL27740456 0.76 SLC22A2 (0.39) SLC22A2SLC47A1MAPTNPFFR1NPFFR2
Rimantadine SCHEMBL15532385 0.67 SLC22A2 (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Rimantadine SCHEMBL20409367 0.67 SLC22A2 (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Rimantadine SCHEMBL2981 0.67 SLC22A2 (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Rimantadine SCHEMBL29908943 0.67 SLC22A2 (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Rimantadine SCHEMBL2982 0.67 SLC22A2 (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL140990 0.66 GRIN2D (0.39) SLC22A2SLC47A1MAPTNPFFR1NPFFR2
SCHEMBL10633344 0.66 GRIN2D (0.53) SLC22A2SLC47A1MAPTNPFFR1NPFFR2
Rimantadine SCHEMBL40906 0.65 MAPT (1.00) SLC22A2SLC47A1MAPTGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767906-B2 INHIBIT P34CDC2/CYCLIN BCDC13 KINASE AND PROTEIN TYROSINE KINASE PP60C-SRC AND CAN BE USED FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES, FOR EXAMPLE CHEMOTHERAPY OF TUMOURS OR OSTEOPOROSIS. NOVARTIS AG (CH) 2004-07-27 US claimed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP claimed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP claimed
JP-2002537300-A 2002-11-05 JP claimed
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments NOVARTIS AG (CH) 2002-02-07 US claimed
EP-1153024-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2001-11-14 EP claimed
WO-2000049018-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-08-24 WO claimed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP claimed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 WO claimed
US-20100298352-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2010-11-25 US disclosed
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 US disclosed
US-6767906-B2 INHIBIT P34CDC2/CYCLIN BCDC13 KINASE AND PROTEIN TYROSINE KINASE PP60C-SRC AND CAN BE USED FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES, FOR EXAMPLE CHEMOTHERAPY OF TUMOURS OR OSTEOPOROSIS. NOVARTIS AG (CH) 2004-07-27 US disclosed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP disclosed
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments NOVARTIS AG (CH) 2002-02-07 US disclosed
EP-1153024-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2001-11-14 EP disclosed
WO-2000049018-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-08-24 WO disclosed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP disclosed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 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 (2 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-20100298352-A1 SMALL MOLECULE INHIBITORS OF CANCER STEM CELLS TP53, TSG101, CDC7 SLC22A2 4268/4885SLC47A1 2838/4885MAPT 4289/4885
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments CDK14, CDK1, CCNB1 SLC22A2 3557/4885SLC47A1 3148/4885MAPT 2815/4885

“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.