SCHEMBL3512411

SCHEMBL3512411

NC12C[C]3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.50
GRIN3B O60391 5/20 0.50
GRIN1 Q05586 5/20 0.50
GRIN2A Q12879 5/20 0.50
GRIN2B Q13224 5/20 0.50
GRIN2C Q14957 5/20 0.50
GRIN3A Q8TCU5 5/20 0.50
LMNA P02545 3/20 0.50
SLC22A1 O15245 2/20 0.50
NFKB1 P19838 2/20 0.50
SLC22A2 O15244 1/20 0.50
TSHR P16473 1/20 0.50
STAT6 P42226 1/20 0.50
SLC47A1 Q96FL8 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
THRB P10828 2/20 0.48
POLB P06746 2/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2395911 0.74 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4436229 0.70
SCHEMBL3293369 0.70 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27829376 0.70 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5670500 0.70
SCHEMBL11246246 0.70
SCHEMBL216451 0.70 PKM (0.37) PKM
Amantadine SCHEMBL3642447 0.68 GRIN1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL15672299 0.68 GRIN1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL21310017 0.68 GRIN1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 20 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-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-08-05 US disclosed
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 (3 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 GRIN2D 4081/4885GRIN3B 1107/4885GRIN1 2250/4885
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments CDK14, CDK1, CCNB1 GRIN2D 4818/4885GRIN3B 4235/4885GRIN1 4611/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 GRIN2D 2982/4885GRIN3B 2628/4885GRIN1 2348/4885

“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.